SCHEMBL3966432

SCHEMBL3966432

Fc1cccc(CC2CCNCC2)c1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.62
SLC6A2 P23975 3/20 0.51
SLC6A3 Q01959 3/20 0.51
SLC6A4 P31645 3/20 0.50
HTR6 P50406 2/20 0.48
PLG P00747 1/20 0.45
GRIN1 Q05586 2/20 0.44
GRIN2B Q13224 1/20 0.44
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43

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 SCHEMBL30522822 0.98 GBA1 (0.61) GBA1SLC6A2SLC6A3SLC6A4HTR6
Hydrochloric Acid SCHEMBL4777854 0.98 GBA1 (0.61) GBA1SLC6A2SLC6A3SLC6A4HTR6
SCHEMBL13740423 0.90 EED (0.52) GBA1SLC6A2SLC6A3SLC6A4HTR6
SCHEMBL13739140 0.90 EED (0.52) GBA1SLC6A2SLC6A3SLC6A4HTR6
SCHEMBL1812734 0.90 EED (0.52) GBA1SLC6A2SLC6A3SLC6A4HTR6
SCHEMBL4283436 0.84 ALDH1A1 (0.47) SLC6A3SLC6A4GRIN1GRIN2B
Hydrochloric Acid SCHEMBL4879053 0.84 IDO1 (0.47) SLC6A3PLGGRIN1GRIN2BCHRM2
SCHEMBL9562200 0.83 MAOA (0.57) GBA1SLC6A2SLC6A3HTR6
SCHEMBL12420566 0.83 MAOB (0.58) GBA1HTR6
Hydrochloric Acid SCHEMBL2194424 0.82 MAOB (0.59) GBA1HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2006271-A9 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2009-07-29 EP claimed
US-20090054401-A1 Substituted bicyclic derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-02-26 US claimed
EP-2006271-A2 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2008-12-24 EP claimed
US-12268687-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2025-04-08 US disclosed
US-20250034125-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2025-01-30 US disclosed
US-20250034124-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2025-01-30 US disclosed
US-12098146-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-09-24 US disclosed
US-20230116101-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. 2023-04-13 US disclosed
CN-113906019-A Compound and use thereof 优曼尼蒂治疗公司 2022-01-07 CN disclosed
EP-3914593-A1 COMPOUNDS AND USES THEREOF Yumanity Therapeutics, Inc. (US) 2021-12-01 EP disclosed
WO-2021097240-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2021-05-20 WO disclosed
US-6562978-B1 N-(3-(4-(4-(Aminocarbonyl)benzyl)-1-piperidinyl)propyl)-N-(3, 4-dichlorophenyl)-1-(methylsulfonyl)-4-piperidinecarboxamide or a salt thereof for treatment of AIDS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-05-13 US disclosed
WO-2003010159-A1 PIPERIDINE DERIVATIVES AS NMDA RECEPTOR ANTAGONISTS Richter Gedeon Vegyészeti Gyár Rt. (HU) 2003-02-06 WO disclosed
CN-1390201-A cyclic amine compounds as CCR5 antagonists TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-01-08 CN disclosed
EP-1220842-A1 CYCLIC AMINE COMPOUNDS AS CCR5 ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2002-07-10 EP disclosed
WO-2001025200-A1 CYCLIC AMINE COMPOUNDS AS CCR5 ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-04-12 WO disclosed
US-6043257-A ANTICOAGULANT; PYRIDINE SUBSTITUTED INDAZOLE COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-03-28 US disclosed
EP-0960102-A1 AMIDINOINDOLES, AMIDINOAZOLES, AND ANALOGS THEREOF AS INHIBITORS OF FACTOR Xa AND OF THROMBIN Du Pont Pharmaceuticals Company (US) 1999-12-01 EP disclosed
US-5886191-A ANTICOAGULANTS DUPONT PHARMACEUTICALS COMPANY (US) 1999-03-23 US disclosed
WO-1998001428-A1 AMIDINOINDOLES, AMIDINOAZOLES, AND ANALOGS THEREOF AS INHIBITORS OF FACTOR Xa AND OF THROMBIN DU PONT PHARMACEUTICALS COMPANY (US) 1998-01-15 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 (6 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-20090054401-A1 Substituted bicyclic derivatives and use thereof LTB4R2, LTC4S, LTB4R GBA1 2652/4885SLC6A2 3349/4885SLC6A3 3674/4885
US-20250034124-A1 COMPOUNDS AND USES THEREOF NLN, BDNF, NQO1 GBA1 173/4885SLC6A2 520/4885SLC6A3 227/4885
US-12268687-B2 Compounds and uses thereof NLN, BDNF, NQO1 GBA1 173/4885SLC6A2 520/4885SLC6A3 227/4885
US-20230116101-A1 COMPOUNDS AND USES THEREOF NLN, BDNF, NQO1 GBA1 173/4885SLC6A2 520/4885SLC6A3 227/4885
US-20250034125-A1 COMPOUNDS AND USES THEREOF NLN, BDNF, NQO1 GBA1 173/4885SLC6A2 520/4885SLC6A3 227/4885
US-12098146-B2 Compounds and uses thereof NLN, BDNF, NQO1 GBA1 173/4885SLC6A2 520/4885SLC6A3 227/4885

“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.