SCHEMBL6378751

SCHEMBL6378751

CC1(O)CCCN(Cc2ccccc2)C1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 9/20 0.57
ALDH1A1 P00352 3/20 0.53
TSHR P16473 8/20 0.52
CYP3A4 P08684 6/20 0.52
OPRL1 P41146 1/20 0.51
POLB P06746 2/20 0.51
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
GAA P10253 1/20 0.49
SIGMAR1 Q99720 1/20 0.48

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
SCHEMBL30278414 0.91 CYP2D6 (0.54) CYP2D6ALDH1A1TSHRCYP3A4OPRL1
SCHEMBL30889332 0.91 CYP2D6 (0.54) CYP2D6ALDH1A1TSHRCYP3A4OPRL1
SCHEMBL30278409 0.91 CYP2D6 (0.54) CYP2D6ALDH1A1TSHRCYP3A4OPRL1
SCHEMBL951796 0.90 OPRL1 (0.58) CYP2D6TSHRCYP3A4OPRL1POLB
SCHEMBL19613477 0.90 OPRL1 (0.58) CYP2D6TSHRCYP3A4OPRL1POLB
Hydrochloric Acid SCHEMBL6615899 0.89 POLB (0.59) CYP2D6TSHRCYP3A4OPRL1POLB
SCHEMBL13751607 0.84 CYP3A4 (0.58) CYP2D6ALDH1A1TSHRCYP3A4MEN1
SCHEMBL1427267 0.84 TNIK (0.47) CYP2D6ALDH1A1TSHRPOLBMEN1
SCHEMBL8136038 0.83 CYP2D6 (0.59) CYP2D6ALDH1A1TSHRCYP3A4OPRL1
SCHEMBL2284694 0.83 CYP2D6 (0.59) CYP2D6ALDH1A1TSHRCYP3A4GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4573089-A2 KRAS INHIBITORS Bristol-Myers Squibb Company (US) 2025-06-25 EP disclosed
CN-119998275-A KRAS inhibitors 百时美施贵宝公司 2025-05-13 CN disclosed
US-20240199584-A1 KRAS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2024-06-20 US disclosed
WO-2024040109-A2 KRAS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2024-02-22 WO disclosed
EP-1697354-B1 ISOTHIAZOLE DIOXIDES AS CXC- AND CC- CHEMOKINE RECEPTOR LIGANDS MERCK SHARP & DOHME (US) 2013-08-07 EP disclosed
US-20110213029-A1 3,4-Di-Substituted Cyclobutene-1,2-Diones as CXC-Chemokine Receptor Ligands SCHERING CORPORATION (US) 2011-09-01 US disclosed
US-20110213029-A1 3,4-Di-Substituted Cyclobutene-1,2-Diones as CXC-Chemokine Receptor Ligands SCHERING CORPORATION (US) 2011-09-01 US disclosed
US-7964646-B2 3,4-DI-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands SCHERING CORPORATION (US) 2011-06-21 US disclosed
US-7964646-B2 3,4-DI-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands SCHERING CORPORATION (US) 2011-06-21 US disclosed
US-7947720-B2 3,4-di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands SCHERING CORPORATION (US) 2011-05-24 US disclosed
EP-0723545-B1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LAB (US) 2002-05-08 EP disclosed
CN-1053188-C Quinolizinone type compounds ABBOTT LAB (US) 2000-06-07 CN disclosed
EP-0871628-A1 QUINOLIZINONE TYPE COMPOUNDS Abbott Laboratories (US) 1998-10-21 EP disclosed
US-5726182-A TREATMENT OF BACTERIAL INFECTIONS ABBOTT LABORATORIES (US) 1998-03-10 US disclosed
US-5599816-A BACTERICIDE ABBOTT LABORATORIES (US) 1997-02-04 US disclosed
WO-1996039407-A1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LABORATORIES (US) 1996-12-12 WO disclosed
CN-1137273-A Quinolizinone type compounds ABBOTT LAB (US) 1996-12-04 CN disclosed
US-5580872-A ADMINISTERING IN THE TREATMENT OF BACTERIAL INFECTIONS ABBOTT LABORATORIES (US) 1996-12-03 US disclosed
EP-0723545-A1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LABORATORIES (US) 1996-07-31 EP disclosed
WO-1995010519-A1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LABORATORIES (US) 1995-04-20 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 (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-20110213029-A1 3,4-Di-Substituted Cyclobutene-1,2-Diones as CXC-Chemokine Receptor Ligands CCR1, ACKR3, CXCR1 CYP2D6 1654/4885ALDH1A1 1019/4885TSHR 2257/4885
US-20240199584-A1 KRAS INHIBITORS KRAS, NRAS, HRAS CYP2D6 3832/4885ALDH1A1 3156/4885TSHR 3876/4885

“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.