SCHEMBL16285376

SCHEMBL16285376

Cc1ccc(-c2noc(=O)[nH]2)nc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.48
CCR5 P51681 1/20 0.48
CCR8 P51685 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
ALDH1A1 P00352 1/20 0.44
KMO O15229 1/20 0.43
METAP2 P50579 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2A6 P11509 1/20 0.40
RARB P10826 2/20 0.38
PLA2G2A P14555 2/20 0.35
EDNRB P24530 1/20 0.35
EDNRA P25101 1/20 0.35
ADH5 P11766 1/20 0.35
BPGM P07738 1/20 0.34
DPP4 P27487 1/20 0.33
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
RARG P13631 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
SCHEMBL31546321 0.80 ALDH1A1 (0.51) ALDH1A1KMORARBPLA2G2A
SCHEMBL16285371 0.80 ALDH1A1 (0.48) ALDH1A1KMORARBPLA2G2A
SCHEMBL25435029 0.80 ALDH1A1 (0.51) ALDH1A1KMORARBPLA2G2A
SCHEMBL7539758 0.76 ALDH1A1 (0.41) ALDH1A1KMORARBPLA2G2AADH5
SCHEMBL2963261 0.75 ALDH1A1 (0.61) ALDH1A1RARBPLA2G2AADH5DPP4
SCHEMBL9771736 0.72 BTK (0.54) CCR1CCR5CCR8ALDH1A1KMO
SCHEMBL25433544 0.71 ALDH1A1 (0.42) ALDH1A1KMORARBPLA2G2ABPGM
SCHEMBL603947 0.71 KMO (0.47) ALDH1A1KMORARBBPGMDPP4
SCHEMBL12488002 0.70 ALDH1A1 (0.55) ALDH1A1KMORARBPLA2G2AADH5
SCHEMBL1098065 0.70 KMO (0.43) ALDH1A1KMORARBPLA2G2AADH5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11712438-B2 Phenyl derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2023-08-01 US disclosed
US-11712438-B2 Phenyl derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2023-08-01 US disclosed
EP-3625222-B1 PHENYL DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-07-21 EP disclosed
US-20200179383-A1 PHENYL DERIVATIVES AS PGE2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2020-06-11 US disclosed
US-9249163-B2 PDE10a inhibitors for the treatment of type II diabetes JANSSEN PHARMACEUTICA NV. (BE) 2016-02-02 US disclosed
US-20150031668-A1 CHROMAN DERIVATIVES AS TRPM8 INHIBITORS AMGEN INC (US) 2015-01-29 US disclosed
US-20140364414-A1 PDE 10a Inhibitors for the Treatment of Type II Diabetes JANSSEN PHARMACEUTICA, NV (BE) 2014-12-11 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 (4 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-11712438-B2 Phenyl derivatives as PGE2 receptor modulators PTGER1, PTGER4, PTGER2 CCR1 730/4885CCR5 1012/4885CCR8 2348/4885
US-20150031668-A1 CHROMAN DERIVATIVES AS TRPM8 INHIBITORS TRPM8, TRPM5, TRPM7 CCR1 2592/4885CCR5 3015/4885CCR8 128/4885
US-20200179383-A1 PHENYL DERIVATIVES AS PGE2 RECEPTOR MODULATORS PTGER1, PTGER4, PTGER2 CCR1 739/4885CCR5 1072/4885CCR8 2269/4885
US-20140364414-A1 PDE 10a Inhibitors for the Treatment of Type II Diabetes PDE2A, PDE3B, PDE3A CCR1 3179/4885CCR5 1206/4885CCR8 4090/4885

“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.