SCHEMBL21377181

SCHEMBL21377181

CCC(C)OCCCN1CCC(F)CC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.40
GNAI3 P08754 1/20 0.38
GNAO1 P09471 1/20 0.38
GNAI1 P63096 1/20 0.38
SLC6A4 P31645 4/20 0.35
SIGMAR1 Q99720 3/20 0.34
MAOB P27338 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
HTR2A P28223 1/20 0.33
MAPK1 P28482 1/20 0.33
SCN1A P35498 1/20 0.33
HTR2B P41595 1/20 0.33
KCNH2 Q12809 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 1/20 0.33

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
SCHEMBL22663366 0.90 HRH3 (0.40) HRH3GNAI3GNAO1GNAI1SLC6A4
SCHEMBL22890953 0.87 GNAI3 (0.34) HRH3GNAI3GNAO1GNAI1SIGMAR1
SCHEMBL22890929 0.85 HRH3 (0.41) HRH3SIGMAR1MAOBALDH1A1KCNH2
SCHEMBL20698611 0.84 HRH3 (0.43) HRH3GNAI3GNAO1GNAI1SLC6A4
SCHEMBL13543410 0.82 MEN1 (0.46) HRH3MAOBALDH1A1
SCHEMBL21733612 0.81 ALDH1A1 (0.51) HRH3SIGMAR1ALDH1A1CYP1A2CHRM2
SCHEMBL13543156 0.81 MEN1 (0.45) HRH3MAOBALDH1A1
SCHEMBL22861349 0.80 MEN1 (0.38) HRH3SLC6A4MAOBCYP1A2CHRM2
SCHEMBL20739270 0.80 HRH3 (0.44) HRH3SLC6A4SIGMAR1ALDH1A1CYP1A2
SCHEMBL21348409 0.80 ALDH1A1 (0.47) HRH3SIGMAR1ALDH1A1CYP1A2CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10568874-B2 Indane-amines as PD-L1 antagonists CHEMOCENTRYX, INC. (US) 2020-02-25 US disclosed
US-20190282555-A1 INDANE-AMINES AS PD-L1 ANTAGONISTS CHEMOCENTRYX, INC. 2019-09-19 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 (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-20190282555-A1 INDANE-AMINES AS PD-L1 ANTAGONISTS CD274, PDCD1LG2, PDCD1 HRH3 11/4885GNAI3 1607/4885GNAO1 1080/4885
US-10568874-B2 Indane-amines as PD-L1 antagonists CD274, PDCD1LG2, PDCD1 HRH3 11/4885GNAI3 1607/4885GNAO1 1080/4885

“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.