SCHEMBL940085

SCHEMBL940085

c1ccc([C@@H]2CCCCN2)cc1

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.65
CYP2D6 P10635 2/20 0.65
CYP2C19 P33261 2/20 0.65
KMT2A Q03164 2/20 0.65
CHRNB2 P17787 2/20 0.65
CHRNA7 P36544 2/20 0.65
CHRNA4 P43681 2/20 0.65
POLB P06746 2/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
CYP1A2 P05177 1/20 0.65
CYP2A6 P11509 1/20 0.65
CYP2C9 P11712 1/20 0.65
AURKA O14965 1/20 0.46
CHRM5 P08912 3/20 0.44
CHRM3 P20309 3/20 0.44
CHRM1 P11229 2/20 0.44
CHRM2 P08172 2/20 0.44
CHRM4 P08173 2/20 0.44
SLC18A3 Q16572 1/20 0.43
SIGMAR1 Q99720 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
SCHEMBL938780 1.00 MEN1 (0.65) MEN1CYP2D6CYP2C19KMT2ACHRNB2
SCHEMBL938781 1.00 MEN1 (0.65) MEN1CYP2D6CYP2C19KMT2ACHRNB2
SCHEMBL2707245 0.98 MEN1 (0.62) MEN1CYP2D6CYP2C19KMT2ACHRNB2
Hydrochloric Acid SCHEMBL1764935 0.98 MEN1 (0.62) MEN1CYP2D6CYP2C19KMT2ACHRNB2
SCHEMBL7673446 0.98 MEN1 (0.62) MEN1CYP2D6CYP2C19KMT2ACHRNB2
Hydrochloric Acid SCHEMBL20449216 0.98 MEN1 (0.62) MEN1CYP2D6CYP2C19KMT2ACHRNB2
Hydrochloric Acid SCHEMBL9080005 0.98 MEN1 (0.62) MEN1CYP2D6CYP2C19KMT2ACHRNB2
SCHEMBL8544217 0.98 MEN1 (0.62) MEN1CYP2D6CYP2C19KMT2ACHRNB2
Hydrochloric Acid SCHEMBL28855198 0.96 CYP2D6 (0.61) MEN1CYP2D6CYP2C19KMT2ACHRNB2
Hydrochloric Acid SCHEMBL28855199 0.96 CYP2D6 (0.61) MEN1CYP2D6CYP2C19KMT2ACHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025049326-A1 TRICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 BIOCRYST PHARMACEUTICALS, INC. (US) 2025-03-06 WO disclosed
EP-4506035-A2 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF Relay Therapeutics, Inc. (US) 2025-02-12 EP disclosed
EP-3768668-B1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS INC (US) 2024-08-28 EP disclosed
CN-117157285-A Pharmaceutical compounds as ubiquitin-specific protease 19 (USP 19) inhibitors 阿尔麦克探索有限公司 2023-12-01 CN disclosed
WO-2022200523-A9 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF UBIQUITIN SPECIFIC PROTEASE 19 (USP19) ALMAC DISCOVERY LIMITED (GB) 2023-02-16 WO disclosed
US-20230033360-A1 COMPOUNDS AS CD73 INHIBITORS BIOARDIS LLC 2023-02-02 US disclosed
EP-4055026-A1 COMPOUNDS AS CD73 INHIBITORS Bioardis LLC (US) 2022-09-14 EP disclosed
CN-114945578-A Compounds as CD73 inhibitors 博奥阿迪斯生物科技公司 2022-08-26 CN disclosed
US-20220204539-A1 CD73 INHIBITORS BIOARDIS LLC 2022-06-30 US disclosed
US-20220127256-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. 2022-04-28 US disclosed
WO-2009153536-A1 1-AZA-BICYCLO [2.2.2] OCTANE DERIVATIVES USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS ARGENTA DISCOVERY LIMITED (GB) 2009-12-23 WO disclosed
WO-2009112845-A1 AMIDO-THIOPHENE COMPOUNDS AND THEIR USE THE UNIVERSITY OF EDINBURGH (GB) 2009-09-17 WO disclosed
US-20080269529-A1 Chiral Compound Suitable as a Catalyst for Asymmetric Transfer Hydrogenation PATHEON HOLDINGS I B.V. (NL) 2008-10-30 US disclosed
EP-0705259-B1 PHENYRROLE DERIVATIVES AND THEIR USE AS DOPAMINE D3 ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1998-02-25 EP disclosed
US-5637600-A PSYCHOLOGICAL DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 1997-06-10 US disclosed
EP-0745079-A1 PHENYLPYRROLE DERIVATIVES AND THEIR USE AS DOPAMINE D3 ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-12-04 EP disclosed
EP-0705259-A1 PHENYRROLE DERIVATIVES AND THEIR USE AS DOPAMINE D3 ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-04-10 EP disclosed
WO-1995022542-A1 PHENYLPYRROLE DERIVATIVES AND THEIR USE AS DOPAMINE D3 ANTAGONISTS SMITHKLINE BEECHAM P.L.C. (GB) 1995-08-24 WO disclosed
US-5382590-A Gastrointestinal disorders and nervous system disorders RHONE-POULENC RORER S.A. (FR) 1995-01-17 US disclosed
WO-1995000508-A1 PHENYRROLE DERIVATIVES AND THEIR USE AS DOPAMINE D3 ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-01-05 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 (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-20230033360-A1 COMPOUNDS AS CD73 INHIBITORS ENTPD5, ENTPD1, NT5E MEN1 2427/4885CYP2D6 2120/4885CYP2C19 2171/4885
US-20220204539-A1 CD73 INHIBITORS ENTPD5, ENTPD1, ENTPD2 MEN1 2540/4885CYP2D6 2179/4885CYP2C19 3759/4885
US-20220127256-A1 COMPOUNDS AND METHODS OF USE F12, C1R, ABCG2 MEN1 142/4885CYP2D6 33/4885CYP2C19 20/4885
US-20080269529-A1 Chiral Compound Suitable as a Catalyst for Asymmetric Transfer Hydrogenation SLC30A6, SLC39A14, SLC30A5 MEN1 800/4885CYP2D6 2453/4885CYP2C19 4057/4885

“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.