SCHEMBL23123719

SCHEMBL23123719

CC1(C)COCC(c2ccccc2)N1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.41
CHRNB2 P17787 2/20 0.41
CHRNB4 P30926 2/20 0.41
CHRNA3 P32297 2/20 0.41
CHRNA4 P43681 2/20 0.41
SLC6A3 Q01959 1/20 0.41
CHRNA1 P02708 1/20 0.41
CHRNG P07510 1/20 0.41
CHRNB1 P11230 1/20 0.41
CHRND Q07001 1/20 0.41
PRCP P42785 1/20 0.37
TSHR P16473 1/20 0.36
KDM1A O60341 5/20 0.36
MAOA P21397 4/20 0.36
MAOB P27338 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL24700187 0.83 CHRNA1 (0.44) SLC6A2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL25331550 0.83 TSHR (0.36) SLC6A2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL23123298 0.80 CHRNA1 (0.47) SLC6A2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL10475148 0.79 KDM1A (0.41) TSHRKDM1AMAOAMAOBMEN1
SCHEMBL24540955 0.79 CHRM2 (0.39) CHRNB2CHRNB4CHRNA3CHRNA4SLC6A3
SCHEMBL23123267 0.78 CHRNB2 (0.39) SLC6A2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL24700319 0.76 CHRNB2 (0.45) SLC6A2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL27366040 0.74 TSHR (0.39) SLC6A2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL23123429 0.72 SLC6A2 (0.36) SLC6A2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL9420060 0.72 PRCP (0.40) PRCPKDM1AMAOAMAOBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220380314-A1 SUBSTITUTED, SATURATED AND UNSATURATED N-HETEROCYCLIC CARBOXAMIDES AND RELATED COMPOUNDS FOR THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL R&D INVEST S A (PT) 2022-12-01 US disclosed
US-20220380314-A1 SUBSTITUTED, SATURATED AND UNSATURATED N-HETEROCYCLIC CARBOXAMIDES AND RELATED COMPOUNDS FOR THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL R&D INVEST S A (PT) 2022-12-01 US disclosed
CN-114901652-A Substituted saturated and unsaturated N-heterocyclic carboxamides and related compounds for the treatment of medical disorders 比亚尔R&D投资股份公司 2022-08-12 CN disclosed
EP-4031540-A1 SUBSTITUTED, SATURATED AND UNSATURATED N-HETEROCYCLIC CARBOXAMIDES AND RELATED COMPOUNDS FOR THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS Bial-R&D Investments, S.A. (PT) 2022-07-27 EP disclosed
WO-2021055630-A1 SUBSTITUTED, SATURATED AND UNSATURATED N-HETEROCYCLIC CARBOXAMIDES AND RELATED COMPOUNDS FOR THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL- BIOTECH INVESTMENTS, INC. (US) 2021-03-25 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 (1 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-20220380314-A1 SUBSTITUTED, SATURATED AND UNSATURATED N-HETEROCYCLIC CARBOXAMIDES AND RELATED COMPOUNDS FOR THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS GBA1, GBA2, CLN6 SLC6A2 2370/4885CHRNB2 2827/4885CHRNB4 3599/4885

“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.