SCHEMBL218541

SCHEMBL218541

COc1ccc(N2CC[N]CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.61
HTR3B O95264 1/20 0.61
ADRB1 P08588 1/20 0.61
HTR3A P46098 1/20 0.61
HTR3D Q70Z44 1/20 0.61
HTR3C Q8WXA8 1/20 0.61
SIGMAR1 Q99720 1/20 0.61
MAPT P10636 4/20 0.59
RAB9A P51151 3/20 0.59
KMT2A Q03164 1/20 0.59
DRD2 P14416 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.53
NPC1 O15118 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 1/20 0.51
TSHR P16473 1/20 0.51
ALDH1A1 P00352 3/20 0.50
GAA P10253 2/20 0.50
HSD17B10 Q99714 1/20 0.50
POLB P06746 1/20 0.50

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
SCHEMBL2093519 0.93 HTR3E (0.54) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL8301010 0.86 L3MBTL1 (0.56) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL3197670 0.84 ADRB1 (0.61) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL2925759 0.81 HTR3E (0.68) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL4143515 0.79 MAPT (0.56) MAPTRAB9AKMT2AL3MBTL1NPC1
SCHEMBL1365556 0.79 ADRB1 (0.65) ADRB1MAPTRAB9AKMT2ADRD2
SCHEMBL20415006 0.79 HTR3E (0.66) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL20748280 0.79 HTR3E (0.66) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL20415005 0.79 HTR3E (0.66) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL107369 0.79 HTR3E (0.66) HTR3EHTR3BADRB1HTR3AHTR3D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117586233-A Preparation and application of N- [ (1H-indol-4-yl) alkyl ] benzamide compound 沈阳药科大学 2024-02-23 CN claimed
CN-111848412-B Method for efficiently realizing N-alkylation reaction by using cycloiridium catalyst 赣南医学院 2023-05-12 CN claimed
CN-115611885-A N-substituted-5- ((4-substituted pyrimidin-2-yl) amino) -1H-indole-2-carboxamide derivatives 厦门大学 2023-01-17 CN claimed
CN-114773267-A [ (7-trifluoromethyl quinoline-4-yl) amino ] benzamide compound and preparation and application thereof 沈阳药科大学 2022-07-22 CN claimed
CN-110003176-B Amide-containing benzimidazole compound and application thereof 沈阳药科大学 2021-12-21 CN claimed
CN-110156752-B 2- [ (pyridine-2-ylmethyl) sulfenyl ] -1H-benzimidazole compound and application thereof 沈阳药科大学 2021-03-19 CN claimed
CN-111848412-A Method for efficiently realizing N-alkylation reaction by using cycloiridium catalyst 赣南医学院 2020-10-30 CN claimed
US-20190070149-A1 PRIMARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2019-03-07 US claimed
US-9328107-B2 Primary amines and derivatives thereof as modulators of the 5-HT2A serotonin receptor useful for the treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2016-05-03 US claimed
EP-2018371-B1 PRIMARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARM INC (US) 2015-03-04 EP claimed
EP-0598046-B1 CYCLIC UREAS USEFUL AS ANTIARRHYTHMIC AND ANTIFIBRILLATORY AGENTS PROCTER & GAMBLE PHARMA (US) 1999-03-24 EP claimed
EP-0900211-A1 THIADIAZOLYL(THIO)UREAS USEFUL AS MATRIX METALLOPROTEASE INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 1999-03-10 EP claimed
US-5847148-A Thiadiazole derivatives useful for the treatment of diseases related to connective tissue degradation PHARMACIA & UPJOHN COMPANY (US) 1998-12-08 US claimed
US-5691369-A CARDIOVASCULAR DISORDERS THE PROCTOR & GAMBLE COMPANY (US) 1997-11-25 US claimed
WO-1997040031-A1 THIADIAZOLYL(THIO)UREAS USEFUL AS MATRIX METALLOPROTEASE INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 1997-10-30 WO claimed
US-5512569-A SIGMA RECEPTOR DISORDERS; PSYCHOLOGICAL DISORDERS ADIR ET COMPAGNIE (FR) 1996-04-30 US claimed
EP-0673934-A1 Aminoalkyl benzothiazolinones, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1995-09-27 EP claimed
US-4569994-A Dibenzo[b,d]pyranyloxyaminopropanols PENNWALT CORPORATION 1986-02-11 US claimed
US-4556656-A HYPOTENSIVE, ANTIPSYCHOTIC, DIABETIC, AND ANALGESIC AGENTS THE UPJOHN COMPANY (US) 1985-12-03 US claimed
US-4036979-A ANIMAL GROWTH RATE ACCELERATOR AMERICAN CYANAMID COMPANY (US) 1977-07-19 US claimed

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

For each of this compound's patents that has machine-readable text (1 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-20190070149-A1 PRIMARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO HTR5A, HTR2A, HTR1A HTR3E 10/4885HTR3B 7/4885ADRB1 78/4885

“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.