SCHEMBL21458294

SCHEMBL21458294

[2H]C1(C(=O)O)CC2(CC(N)C2)C1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.42
GRM4 Q14833 4/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP1A2 P05177 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GRM8 O00222 1/20 0.32
GRM6 O15303 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALOX15 P16050 1/20 0.32
GABRR1 P24046 1/20 0.32
APLNR P35414 1/20 0.30

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
SCHEMBL26227343 0.76 CYP2C19 (0.75) CYP2C19GRM4ALDH1A1CYP1A2MEN1
SCHEMBL26603619 0.76 CYP2C19 (0.75) CYP2C19GRM4ALDH1A1CYP1A2MEN1
Hydrochloric Acid SCHEMBL21458310 0.74 CYP2C19 (0.71) CYP2C19GRM4ALDH1A1CYP1A2MEN1
SCHEMBL30843250 0.74 CYP2C19 (0.39) CYP2C19APLNR
SCHEMBL13554381 0.71
SCHEMBL24785839 0.67 SLC6A12 (0.41) CYP2C19ALDH1A1TDP1GABRR1
SCHEMBL14165767 0.67 CYP2C19 (0.36) CYP2C19
SCHEMBL20826247 0.65 CYP2C19 (0.39) CYP2C19
SCHEMBL26603610 0.65 CYP2C19 (0.39) CYP2C19
Hydrochloric Acid SCHEMBL21458243 0.65 SLC6A12 (0.43) CYP2C19ALDH1A1TDP1GABRR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240150316-A1 BICYCLIC CARBOXAMIDES AND METHODS OF USE THEREOF TEMPEST THERAPEUTICS, INC. 2024-05-09 US disclosed
US-11795156-B2 Bicyclic carboxamides and methods of use thereof TEMPEST THERAPEUTICS, INC. (US) 2023-10-24 US disclosed
US-20230045612-A1 BICYCLIC CARBOXAMIDES AND METHODS OF USE THEREOF TEMPEST THERAPEUTICS, INC. 2023-02-09 US disclosed
US-10968201-B2 Bicyclic carboxamides and methods of use thereof TEMPEST THERAPEUTICS, INC. (US) 2021-04-06 US disclosed
US-20210024491-A1 BICYCLIC CARBOXAMIDES AND METHODS OF USE THEREOF TEMPEST THERAPEUTICS, INC. 2021-01-28 US 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 (6 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-11795156-B2 Bicyclic carboxamides and methods of use thereof PTGER4, PTGER2, CNR2 CYP2C19 1152/4885GRM4 37/4885ALDH1A1 1392/4885
US-10968201-B2 Bicyclic carboxamides and methods of use thereof PTGER4, PTGER2, CNR2 CYP2C19 1152/4885GRM4 37/4885ALDH1A1 1392/4885
US-20240150316-A1 BICYCLIC CARBOXAMIDES AND METHODS OF USE THEREOF PTGER4, PTGER2, CNR2 CYP2C19 1152/4885GRM4 37/4885ALDH1A1 1392/4885
US-20230045612-A1 BICYCLIC CARBOXAMIDES AND METHODS OF USE THEREOF PTGER4, PTGER2, CNR2 CYP2C19 1152/4885GRM4 37/4885ALDH1A1 1392/4885
US-20210024491-A1 BICYCLIC CARBOXAMIDES AND METHODS OF USE THEREOF PTGER4, PTGER2, CNR2 CYP2C19 1152/4885GRM4 37/4885ALDH1A1 1392/4885
US-20190315712-A1 BICYCLIC CARBOXAMIDES AND METHODS OF USE THEREOF PTGER4, PTGER2, CNR2 CYP2C19 1152/4885GRM4 37/4885ALDH1A1 1392/4885

“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.