SCHEMBL3166228

SCHEMBL3166228

Clc1cccc(CC2CCNCC2)c1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.62
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
GLA P06280 1/20 0.54
GAA P10253 1/20 0.54
MAPT P10636 1/20 0.54
HTT P42858 1/20 0.54
ATM Q13315 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
ACP1 P24666 2/20 0.51
HTR6 P50406 3/20 0.48
THRB P10828 1/20 0.47
DRD2 P14416 1/20 0.47
SLC6A4 P31645 1/20 0.46
CHRM1 P11229 2/20 0.46
CHRM3 P20309 1/20 0.46
HTR2C P28335 2/20 0.45
HTR2B P41595 2/20 0.45
PNMT P11086 1/20 0.44

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 SCHEMBL18280203 0.98 GBA1 (0.61) GBA1KDM4EALDH1A1GLAGAA
SCHEMBL22265953 0.90 EED (0.52) GBA1KDM4EALDH1A1GLAGAA
SCHEMBL1119533 0.87 ALDH1A1 (0.61) KDM4EALDH1A1GLAGAAMAPT
SCHEMBL12736003 0.83 SLC6A4 (0.51) GBA1HTR6THRBDRD2SLC6A4
SCHEMBL2166488 0.83 ALDH1A1 (0.54) GBA1KDM4EALDH1A1GLAGAA
SCHEMBL22265771 0.82 SLC6A4 (0.49) KDM4EALDH1A1GLAGAAMAPT
SCHEMBL3967343 0.82 GBA1 (0.55) GBA1KDM4EALDH1A1GLAGAA
SCHEMBL8162983 0.81 EED (0.64) KDM4EALDH1A1GLAGAAMAPT
SCHEMBL8151654 0.81 EED (0.64) KDM4EALDH1A1GLAGAAMAPT
Hydrochloric Acid SCHEMBL22265307 0.80 GBA1 (0.53) GBA1KDM4EALDH1A1GLAGAA

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 36 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-12479816-B2 20-HETE formation inhibitors University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2025-11-25 US disclosed
US-12268687-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2025-04-08 US disclosed
US-20250034124-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2025-01-30 US disclosed
US-20250034125-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-20230212144-A1 5-MEMBERED HETEROARYL DERIVATIVE CONTAINING AT LEAST ONE N, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING MENTAL DISORDERS, CONTAINING SAME AS ACTIVE INGREDIENT TRINEURO (KR) 2023-07-06 US disclosed
US-20230212144-A1 5-MEMBERED HETEROARYL DERIVATIVE CONTAINING AT LEAST ONE N, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING MENTAL DISORDERS, CONTAINING SAME AS ACTIVE INGREDIENT TRINEURO (KR) 2023-07-06 US disclosed
US-20230116101-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. 2023-04-13 US disclosed
US-7501407-B2 Pyrimidine A2B selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. (US) 2009-03-10 US disclosed
US-20090054401-A1 Substituted bicyclic derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-02-26 US disclosed
EP-2006271-A2 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2008-12-24 EP disclosed
US-6916804-B2 Pyrimidine A2b selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. (US) 2005-07-12 US disclosed
US-20050119271-A1 Pyrimidine A2B selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. 2005-06-02 US disclosed
EP-1465631-A4 PYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI PHARM INC (US) 2005-03-30 EP disclosed
EP-1465631-A2 PYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI Pharmaceuticals, Inc. (US) 2004-10-13 EP disclosed
US-20030162764-A1 Pyrimidine A2b selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. 2003-08-28 US disclosed
WO-2003053366-A2 PYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI PHARMACEUTICALS, INC. (US) 2003-07-03 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 (10 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 2652/4885KDM4E 2981/4885ALDH1A1 1731/4885
US-20250034124-A1 COMPOUNDS AND USES THEREOF NLN, BDNF, NQO1 GBA1 173/4885KDM4E 1073/4885ALDH1A1 293/4885
US-12268687-B2 Compounds and uses thereof NLN, BDNF, NQO1 GBA1 173/4885KDM4E 1073/4885ALDH1A1 293/4885
US-20050119271-A1 Pyrimidine A2B selective antagonist compounds, their synthesis and use ADORA2B, ADORA2A, ADORA3 GBA1 1893/4885KDM4E 3572/4885ALDH1A1 2146/4885
US-12479816-B2 20-HETE formation inhibitors CYP4A22, ALOX5, ALOX15 GBA1 2356/4885KDM4E 1128/4885ALDH1A1 545/4885
US-20230116101-A1 COMPOUNDS AND USES THEREOF NLN, BDNF, NQO1 GBA1 173/4885KDM4E 1073/4885ALDH1A1 293/4885
US-20030162764-A1 Pyrimidine A2b selective antagonist compounds, their synthesis and use ADORA2B, ADORA2A, ADORA3 GBA1 1733/4885KDM4E 3588/4885ALDH1A1 1491/4885
US-20250034125-A1 COMPOUNDS AND USES THEREOF NLN, BDNF, NQO1 GBA1 173/4885KDM4E 1073/4885ALDH1A1 293/4885
US-20230212144-A1 5-MEMBERED HETEROARYL DERIVATIVE CONTAINING AT LEAST ONE N, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING MENTAL DISORDERS, CONTAINING SAME AS ACTIVE INGREDIENT HTR5A, HTR2C, TPH1 GBA1 2395/4885KDM4E 1651/4885ALDH1A1 1002/4885
US-12098146-B2 Compounds and uses thereof NLN, BDNF, NQO1 GBA1 173/4885KDM4E 1073/4885ALDH1A1 293/4885

“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.