SCHEMBL21482091

SCHEMBL21482091

O=C(NC1CC2(C1)CC(C(=O)O)C2)c1ccc(F)c2ccn(Cc3ccc(I)cc3)c12

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 1/20 0.43
▸ CNR2 P34972 14/20 0.43
▸ CNR1 P21554 12/20 0.43
▸ SIGMAR1 Q99720 4/20 0.37
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ TMEM97 Q5BJF2 1/20 0.35
▸ FAAH O00519 1/20 0.34

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
SCHEMBL21506730 0.92 PTGER4 (0.43) PTGER4CNR2CNR1FAAH
SCHEMBL21458276 0.92 PTGER4 (0.43) PTGER4CNR2CNR1FAAH
SCHEMBL21458112 0.91 PTGER4 (0.46) PTGER4CNR2CNR1
SCHEMBL27323020 0.91 PTGER4 (0.46) PTGER4CNR2CNR1
SCHEMBL24991863 0.90 CNR2 (0.41) PTGER4CNR2CNR1SIGMAR1FAAH
SCHEMBL30292391 0.90 PTGER4 (0.42) PTGER4CNR2CNR1FAAH
SCHEMBL20541684 0.90 PTGER4 (0.42) PTGER4CNR2CNR1FAAH
SCHEMBL20541645 0.90 PTGER4 (0.56) PTGER4CNR2CNR1SIGMAR1
SCHEMBL21458214 0.89 PTGER4 (0.47) PTGER4CNR2CNR1FAAH
SCHEMBL31203583 0.89 PTGER4 (0.47) PTGER4CNR2CNR1FAAH

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-10968201-B2 Bicyclic carboxamides and methods of use thereof TEMPEST THERAPEUTICS, INC. (US) 2021-04-06 — — US disclosed
WO-2019204523-A1 BICYCLIC CARBOXAMIDES AND METHODS OF USE THEREOF TEMPEST THERAPEUTICS, INC. (US) 2019-10-24 — — WO disclosed
US-20190315712-A1 BICYCLIC CARBOXAMIDES AND METHODS OF USE THEREOF TEMPEST THERAPEUTICS, INC. 2019-10-17 — — 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-10968201-B2 Bicyclic carboxamides and methods of use thereof PTGER4, PTGER2, CNR2 PTGER4 1/4885CNR2 3/4885CNR1 6/4885
US-20190315712-A1 BICYCLIC CARBOXAMIDES AND METHODS OF USE THEREOF PTGER4, PTGER2, CNR2 PTGER4 1/4885CNR2 3/4885CNR1 6/4885

“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.

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