SCHEMBL23123727

SCHEMBL23123727

CN1CC=C(c2ccc3c(c2)C=CC(C)(C)N3)CC1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
QDPR P09417 3/20 0.49
DRD2 P14416 4/20 0.42
DRD1 P21728 3/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
CHRM1 P11229 1/20 0.39

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
SCHEMBL29789807 1.00 QDPR (0.49) QDPRDRD2DRD1HTR1DHTR1B
SCHEMBL29789821 0.90 QDPR (0.49) QDPRDRD2DRD1HTR1DHTR1B
SCHEMBL23123305 0.90 QDPR (0.49) QDPRDRD2DRD1HTR1DHTR1B
SCHEMBL23123294 0.72 SLC6A4 (0.42) QDPRDRD2DRD1CHRM1
SCHEMBL29789784 0.72 SLC6A4 (0.42) QDPRDRD2DRD1CHRM1
SCHEMBL23123741 0.69 KDM4E (0.44)
SCHEMBL29789858 0.69 KDM4E (0.44)
SCHEMBL6230107 0.68 ALDH1A1 (0.49)
SCHEMBL7369176 0.68 QDPR (0.72) QDPR
SCHEMBL24317109 0.68 QDPR (0.52) QDPRDRD2DRD1HTR1DHTR1B

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 3 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
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
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 QDPR 1830/4885DRD2 2779/4885DRD1 3136/4885

“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.