SCHEMBL358435

SCHEMBL358435

C[C@H]1CCN(Cc2ccccc2)C1

nearest known ligand 0.79

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.79
HRH3 Q9Y5N1 1/20 0.58
BCHE P06276 4/20 0.57
BACE1 P56817 4/20 0.57
CCR3 P51677 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C19 P33261 1/20 0.56
ALDH1A1 P00352 1/20 0.56
SIGMAR1 Q99720 2/20 0.55
DRD2 P14416 1/20 0.53
DRD4 P21917 1/20 0.53
DRD3 P35462 1/20 0.53
MC4R P32245 1/20 0.52

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
SCHEMBL1286699 1.00 ACHE (0.79) ACHEHRH3BCHEBACE1CCR3
SCHEMBL359069 1.00 ACHE (0.79) ACHEHRH3BCHEBACE1CCR3
SCHEMBL19709016 0.91 ACHE (0.72) ACHEHRH3BCHEBACE1CCR3
SCHEMBL12717 0.89 CYP3A4 (0.66) ACHEHRH3CYP1A2CYP3A4CYP2D6
SCHEMBL13083 0.89 CYP3A4 (0.66) ACHEHRH3CYP1A2CYP3A4CYP2D6
SCHEMBL5304179 0.89 CYP3A4 (0.66) ACHEHRH3CYP1A2CYP3A4CYP2D6
SCHEMBL156315 0.89 ACHE (1.00) ACHEHRH3BCHEBACE1CCR3
SCHEMBL5851135 0.88 ACHE (0.62) ACHEHRH3CYP1A2CYP3A4CYP2D6
Ammonia Solution, Strong SCHEMBL2945383 0.87 ACHE (0.96) ACHEHRH3BCHEBACE1CCR3
SCHEMBL20343616 0.86 ACHE (0.60) ACHEHRH3CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023242598-A1 BIFUNCTIONAL MOLECULES FOR TARGETED PROTEIN DEGRADATION AMPHISTA THERAPEUTICS LIMITED (GB) 2023-12-21 WO disclosed
EP-3865484-B1 PDE9 INHIBITOR WITH IMIDAZO PYRAZINONE BACKBONE FOR TREATMENT OF PERIPHERAL DISEASES H LUNDBECK AS (DK) 2023-11-08 EP disclosed
EP-3743430-B1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2023-08-02 EP disclosed
WO-2023122581-A2 IKAROS ZINC FINGER FAMILY DEGRADERS AND USES THEREOF GILEAD SCIENCES, INC. (US) 2023-06-29 WO disclosed
WO-2020107189-A1 PYRROLIDINE COMPOUNDS FOR THE TREATMENT OF MALARIA LEGION PHARMA CO. LTD (CN) 2020-06-04 WO disclosed
WO-2019147782-A1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2019-08-01 WO disclosed
EP-3181566-A1 IMIDAZOTRIAZINONE COMPOUNDS Ironwood Pharmaceuticals, Inc. (US) 2017-06-21 EP disclosed
US-8946422-B2 8-methoxy-9H-isothiazolo[5,4-B]quinoline-3,4-diones and related compounds as anti-infective agents ACHILLION PHARMACEUTICALS, INC. (US) 2015-02-03 US disclosed
US-20140336378-A1 NOVEL BENZAMIDE DERIVATIVE AND USE THEREOF VIVOZON, INC. (KR) 2014-11-13 US disclosed
US-8653282-B2 Preparation of dihydrothieno [3,2-D] pyrimidines and intermediates used therein BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-18 US disclosed
US-7449456-B2 Diaminopyrimidinecarboxamide derivative ASTELLAS PHARMA, INC. (JP) 2008-11-11 US disclosed
EP-1988076-A1 AMIDE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2008-11-05 EP disclosed
US-20080227785-A1 2,4,6-TRIAMINO-1,3,5-TRIAZINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2008-09-18 US disclosed
EP-1670790-B1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF ASTRAZENECA AB (SE) 2008-08-20 EP disclosed
EP-1955697-A1 2-AMINOBENZAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2008-08-13 EP disclosed
US-7375222-B2 2,4,6-Triamino-1,3,5-triazine derivative ASTELLAS PHARMA INC. (JP) 2008-05-20 US disclosed
US-20080096882-A1 PDE4 (Phosphodiesterase) inhibitors; respiratory diseases, gastrointestinal diseases, inflammation the joints, skin or eyes, cancers, or diseases of the peripheral or central nervous system BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-04-24 US disclosed
WO-2007094513-A2 CYCLIC AMINE COMPOUND AND USE THEREOF FOR THE PROPHYLAXIS OR TREATMENT OF HYPERTENSION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-08-23 WO disclosed
US-20070010490-A1 T-type calcium channel blockers NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2007-01-11 US disclosed
US-20070010490-A1 T-type calcium channel blockers NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2007-01-11 US 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 (4 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-20140336378-A1 NOVEL BENZAMIDE DERIVATIVE AND USE THEREOF TRPV1, TRPA1, TRPV5 ACHE 91/4885HRH3 34/4885BCHE 168/4885
US-20080096882-A1 PDE4 (Phosphodiesterase) inhibitors; respiratory diseases, gastrointestinal diseases, inflammation the joints, skin or eyes, cancers, or diseases of the peripheral or central nervous system PDE4A, PDE4B, PDE12 ACHE 142/4885HRH3 712/4885BCHE 2212/4885
US-20070010490-A1 T-type calcium channel blockers CACNA1E, RYR2, RYR1 ACHE 1288/4885HRH3 286/4885BCHE 2807/4885
US-20080227785-A1 2,4,6-TRIAMINO-1,3,5-TRIAZINE DERIVATIVE KCNT1, KCNMA1, KCNJ2 ACHE 655/4885HRH3 1502/4885BCHE 324/4885

“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.