SCHEMBL865619

SCHEMBL865619

CC1(N)Cc2ccccc2C1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.41
KDM1A O60341 5/20 0.39
MAOA P21397 4/20 0.39
MAOB P27338 4/20 0.39
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
HDAC9 Q9UKV0 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL1786173 0.97 KDM1A (0.41) HTR2AKDM1AMAOAMAOBALDH1A1
SCHEMBL20404660 0.84 KDM1A (0.42) HTR2AKDM1AMAOAMAOB
SCHEMBL15019278 0.77 TSHR (0.38) HTR2AMAOAMAOBHDAC9
SCHEMBL8707641 0.77 HTR1A (0.40) HTR2A
Hydrochloric Acid SCHEMBL4733230 0.74 IDO1 (0.37) HTR2AKDM1AMAOAMAOB
SCHEMBL27782033 0.74 HTR2A (0.34) HTR2AKDM1AHDAC9
SCHEMBL13344276 0.74 CYP3A4 (0.39) ALDH1A1
SCHEMBL4644536 0.72 HTR2A (0.37) HTR2AHDAC9
SCHEMBL9418962 0.72 HTR2A (0.37) HTR2AKDM1A
SCHEMBL20787299 0.72 HTR2A (0.37) HTR2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 69 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230312481-A1 SUBSTITUTED (PHTHALAZIN-1-YLMETHYL)UREAS, SUBSTITUTED N-(PHTHALAZIN-1-YLMETHYL)AMIDES, AND ANALOGUES THEREOF ARBUTUS BIOPHARMA CORP (CA) 2023-10-05 US disclosed
CN-111836807-A Oxaspiro compounds, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2020-10-27 CN disclosed
US-9988349-B2 Direct stereospecific synthesis of unprotected aziridines from olefins NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-06-05 US disclosed
US-9988349-B2 Direct stereospecific synthesis of unprotected aziridines from olefins NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-06-05 US disclosed
US-9988349-B2 Direct stereospecific synthesis of unprotected aziridines from olefins NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-06-05 US disclosed
US-20160340305-A1 DIRECT STEREOSPECIFIC SYNTHESIS OF UNPROTECTED AZIRIDINES FROM OLEFINS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-11-24 US disclosed
US-20160340305-A1 DIRECT STEREOSPECIFIC SYNTHESIS OF UNPROTECTED AZIRIDINES FROM OLEFINS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-11-24 US disclosed
US-20160340305-A1 DIRECT STEREOSPECIFIC SYNTHESIS OF UNPROTECTED AZIRIDINES FROM OLEFINS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-11-24 US disclosed
EP-2809655-B1 BENZIIMIDAZOLE AND IMIDAZOPYRIDINE DERIVATIVES AS SODIUM CHANNEL MODULATORS PFIZER (US) 2015-08-12 EP disclosed
WO-2015103505-A2 DIRECT STEREOSPECIFIC SYNTHESIS OF UNPROTECTED AZIRIDINES FROM OLEFINS ESS DANIEL HALSELL (US) 2015-07-09 WO disclosed
US-20080070902-A1 Cinnamide Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-03-20 US disclosed
WO-2008021849-A2 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-21 WO disclosed
WO-2008021851-A2 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-21 WO disclosed
WO-2007047397-A2 PHENOL ETHERS AS MODULATORS OF THE OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2007-04-26 WO disclosed
EP-1757591-A1 CINNAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-02-28 EP disclosed
US-20060004013-A1 Alzheimer's disease, senile dementia, Down syndrome or amyloidosis; 3E)-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzylidene]piperidin-2-one; imidazolyl-functional compounds inhibit production of Amyloid beta 40 and Amyloid beta 42; low hygroscopicity; good solubility EISAI CO., LTD. 2006-01-05 US disclosed
US-20050153957-A1 Administering an aminoindanyl derivative and; a steroid, dopamine receptor agonist or an anticholinergic or antimuscarinic agent; respiratory system disorders, antiallergens, chronic obstructive pulmonary disease, adult respiratory distress syndrome, bronchitis NOVARTIS AG (CH) 2005-07-14 US disclosed
US-6878721-B1 N-(partially hydrogenated fused carbocycle)-2-arylethylamine derivatives, e.g., 8-hydroxy-5-(1-hydroxy-2-(indan-2-ylamino)-ethyl)-1H-quinolin-2-one; treatment of obstructive or inflammatory NOVARTIS AG (CH) 2005-04-12 US disclosed
EP-1183240-A1 BETA2-ADRENOCEPTOR AGONISTS Novartis AG (CH) 2002-03-06 EP disclosed
WO-2000075114-A1 BETA2-ADRENOCEPTOR AGONISTS NOVARTIS AG (CH) 2000-12-14 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160340305-A1 DIRECT STEREOSPECIFIC SYNTHESIS OF UNPROTECTED AZIRIDINES FROM OLEFINS AAAS, NISCH, HNMT HTR2A 62/4885KDM1A 1236/4885MAOA 7/4885
US-20080070902-A1 Cinnamide Compound C1S, CCR1, CNR1 HTR2A 2182/4885KDM1A 3016/4885MAOA 2397/4885
US-20050153957-A1 Administering an aminoindanyl derivative and; a steroid, dopamine receptor agonist or an anticholinergic or antimuscarinic agent; respiratory system disorders, antiallergens, chronic obstructive pulmonary disease, adult respiratory distress syndrome, bronchitis ADRB3, ADRB2, ADRB1 HTR2A 475/4885KDM1A 3490/4885MAOA 783/4885
US-20230312481-A1 SUBSTITUTED (PHTHALAZIN-1-YLMETHYL)UREAS, SUBSTITUTED N-(PHTHALAZIN-1-YLMETHYL)AMIDES, AND ANALOGUES THEREOF NSD3, PML, NSD1 HTR2A 3936/4885KDM1A 126/4885MAOA 4512/4885
US-20060004013-A1 Alzheimer's disease, senile dementia, Down syndrome or amyloidosis; 3E)-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzylidene]piperidin-2-one; imidazolyl-functional compounds inhibit production of Amyloid beta 40 and Amyloid beta 42; low hygroscopicity; good solubility PSEN1, APP, BACE1 HTR2A 408/4885KDM1A 1005/4885MAOA 1648/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.