SCHEMBL6732401

SCHEMBL6732401

CCC1(C(C)C)CCNC1=O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.32
OTUD7B Q6GQQ9 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
GABRB3 P28472 1/20 0.32
OPRD1 P41143 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
TSHR P16473 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
LMNA P02545 2/20 0.31
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
POLB P06746 1/20 0.30
APEX1 P27695 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL6731350 0.89 GRIN1 (0.35) KDM4EALDH1A1CYP3A4GABRB3OPRD1
SCHEMBL27507479 0.82 CYP19A1 (0.33) CYP19A1OTUD7B
SCHEMBL26442036 0.74 CRBN (0.43) CYP19A1CYP3A4TSHRNPSR1
SCHEMBL11886192 0.70 OTUD7B (0.32) OTUD7B
SCHEMBL1605832 0.70 AR (0.36) CYP19A1OTUD7BKDM4ETSHRNPSR1
SCHEMBL13081612 0.69 TSHR (0.50) CYP19A1KDM4EALDH1A1CYP3A4GABRB3
SCHEMBL23836081 0.68 OTUD7B (0.31) OTUD7B
SCHEMBL7433600 0.68 OTUD7B (0.31) OTUD7B
SCHEMBL17172987 0.68 OTUD7B (0.31) OTUD7B
SCHEMBL25134507 0.68

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019228252-A1 HIGHLY ACTIVE CSF1R INHIBITOR COMPOUND 杭州阿诺生物医药科技有限公司 (CN) 2019-12-05 WO disclosed
US-10428070-B2 Hepatitis B antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2019-10-01 US disclosed
US-20190177320-A1 HEPATITIS B ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2019-06-13 US disclosed
US-6680331-B2 ADMINISTERING DIETHYL LACTAMS SUCH AS 3,3-DIETHYL-2-PYRROLIDINONE FOR INDUCING ANESTHESIA OR CONSCIOUS SEDATION BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2004-01-20 US disclosed
US-20030078283-A1 Lactam and thiolactam derivatives as anesthetic and conscious sedation agents BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2003-04-24 US disclosed
WO-2003007940-A1 LACTAM AND THIOLACTAM DERIVATIVES AS ANESTHETIC AND CONSCIOUS SEDATION AGENTS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2003-01-30 WO disclosed
US-6066666-A OPTIONALLY N-SUBSTITUTED 3-MONO- AND DI-SUBSTITUTED 2-PYRROLIDINONES AND THIOLACTAM ANALOGS; TREAT SEIZURES, ANXIETY, AND ENHANCING 4-AMINOBUTYRIC ACID (GABA)-INDUCED CHLORIDE CURRENTS AT GABA RECEPTOR/IONOPHORE COMPLEX WASHINGTON UNIVERSITY (US) 2000-05-23 US disclosed
US-5776959-A Anticonvulsant and anxiolytic lactam and thiolactam derivatives WASHINGTON UNIVERSITY (US) 1998-07-07 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 (3 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-20190177320-A1 HEPATITIS B ANTIVIRAL AGENTS HAVCR2, SLC10A1, HDGF CYP19A1 2289/4885OTUD7B 662/4885KDM4E 2448/4885
US-10428070-B2 Hepatitis B antiviral agents HAVCR2, SLC10A1, HDGF CYP19A1 2289/4885OTUD7B 662/4885KDM4E 2448/4885
US-20030078283-A1 Lactam and thiolactam derivatives as anesthetic and conscious sedation agents GABRD, GABRE, CCT8 CYP19A1 3413/4885OTUD7B 792/4885KDM4E 600/4885

“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.