SCHEMBL159371

SCHEMBL159371

[CH]1CCN(Cc2ccccc2)C1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.61
MC4R P32245 1/20 0.52
ALDH1A1 P00352 2/20 0.50
LMNA P02545 2/20 0.50
DRD4 P21917 1/20 0.50
KDM4E B2RXH2 1/20 0.50
ATM Q13315 1/20 0.50
POLB P06746 1/20 0.50
ACHE P22303 2/20 0.48
BCHE P06276 1/20 0.47
BACE1 P56817 1/20 0.47
CYP3A4 P08684 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CCR3 P51677 1/20 0.47
KMT2A Q03164 1/20 0.46
MAOA P21397 1/20 0.46

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
SCHEMBL1808667 0.88 SIGMAR1 (0.57) SIGMAR1MC4RALDH1A1LMNADRD4
SCHEMBL60814 0.87 SIGMAR1 (0.74) SIGMAR1MC4RLMNADRD4KDM4E
SCHEMBL155000 0.82 SIGMAR1 (0.65) SIGMAR1MC4RALDH1A1LMNADRD4
SCHEMBL5170509 0.82 CASP1 (0.49) ALDH1A1LMNAKDM4EPOLBACHE
SCHEMBL2178931 0.82 MAOA (0.68) SIGMAR1MC4RALDH1A1LMNADRD4
SCHEMBL3333802 0.80 MAOA (0.49) ALDH1A1KDM4EPOLBACHEBCHE
SCHEMBL7204490 0.80 HPGD (0.46) ALDH1A1KDM4EPOLBCYP3A4KMT2A
SCHEMBL6989203 0.80 SIGMAR1 (0.63) SIGMAR1MC4RALDH1A1LMNADRD4
SCHEMBL29101920 0.80 ALDH1A1 (0.55) ALDH1A1LMNAKDM4EPOLBACHE
SCHEMBL6397596 0.80 MAOA (0.71) SIGMAR1ACHECCR3MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230416205-A1 COMPOUNDS, COMPOSITIONS, AND METHODS TENVIE THERAPEUTICS, INC. 2023-12-28 US claimed
US-20230348453-A1 HALOGENATED-HETEROARYL AND OTHER HETEROCYCLIC KINASE INHIBITORS, AND USES THEREOF IOMX THERAPEUTICS AG (DE) 2023-11-02 US claimed
EP-4247376-A1 COMPOUNDS, COMPOSITIONS, AND METHODS Denali Therapeutics Inc. (US) 2023-09-27 EP claimed
CN-116507608-A Compounds, compositions, and methods 戴纳立制药公司 2023-07-28 CN claimed
EP-4139305-A1 HALOGENATED-HETEROARYL AND OTHER HETEROCYCLIC KINASE INHIBITORS, AND USES THEREOF iOmx Therapeutics AG (DE) 2023-03-01 EP claimed
CN-115667255-A Halogenated heteroaryl and other heterocyclic kinase inhibitors and uses thereof 艾欧麦克斯治疗股份公司 2023-01-31 CN claimed
WO-2022109268-A1 COMPOUNDS, COMPOSITIONS, AND METHODS DENALI THERAPEUTICS INC. (US) 2022-05-27 WO claimed
EP-3256464-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARM SPA (IT) 2022-05-11 EP claimed
CN-109923108-B Pyridyl-substituted indole compounds 百时美施贵宝公司 2022-04-29 CN claimed
WO-2021214117-A1 HALOGENATED-HETEROARYL AND OTHER HETEROCYCLIC KINASE INHIBITORS, AND USES THEREOF IOMX THERAPEUTICS AG (DE) 2021-10-28 WO claimed
EP-0808303-A1 5-(4-SUBST.-PIPERIDINYL-1)-3-ARYL-PENTANOIC ACID DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONIST ZENECA LIMITED (GB) 1997-11-26 EP claimed
WO-1996024582-A1 5-(4-SUBST.-PIPERIDINYL-1)-3-ARYL-PENTANOIC ACID DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONIST ZENECA LIMITED (GB) 1996-08-15 WO claimed
CN-1081676-A The indoles and the indazole derivatives that are used for the treatment and the prevention of cerebral disorders, their preparation and application SANKYO CO (JP) 1994-02-09 CN claimed
US-5276150-A Vasodilators, anticoagulants, calcium channel blockers FUJIREBIO INC. (JP) 1994-01-04 US claimed
EP-0566142-A1 Inclusion complexes of optically active and racemic 1,4-dihydro pyridines with cyclodextrin derivates LEK, tovarna farmacevtskih in kemicnih izdelkov, d.d. (SI) 1993-10-20 EP claimed
EP-0562832-A1 Indole and indazole derivatives, for the treatment and prophylaxis of cerebral disorders, their preparation and their use SANKYO COMPANY LIMITED (JP) 1993-09-29 EP claimed
EP-0403957-A2 Optical active 1,4-dihydropyridine derivates FUJIREBIO INC. (JP) 1990-12-27 EP claimed
EP-0400660-A1 1,4-dihydropyridine derivatives FUJIREBIO INC. (JP) 1990-12-05 EP claimed
EP-0320984-A2 1,4-Dihydropyridine derivatives FUJIREBIO INC. (JP) 1989-06-21 EP claimed
EP-0001643-A2 Aminoglycoside derivatives, process for their manufacture, pharmaceutical compositions and carboxylic acids SHIONOGI & CO., LTD. (JP) 1979-05-02 EP 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 (2 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-20230416205-A1 COMPOUNDS, COMPOSITIONS, AND METHODS NLRP3, NLRP1, NOD1 SIGMAR1 1079/4885MC4R 999/4885ALDH1A1 4711/4885
US-20230348453-A1 HALOGENATED-HETEROARYL AND OTHER HETEROCYCLIC KINASE INHIBITORS, AND USES THEREOF ABL1, PRKDC, PRKACA SIGMAR1 3814/4885MC4R 2468/4885ALDH1A1 2606/4885

“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.