SCHEMBL21389343

SCHEMBL21389343

O=C(CSCC(=O)NCC1CCC1)NCCN1C(=O)[C@H]2CCCC[C@H]2C1=O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ RAB9A P51151 4/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ ATM Q13315 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ MITF O75030 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ MDM2 Q00987 1/20 0.35

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
SCHEMBL24795943 0.99 ALDH1A1 (0.39) ALDH1A1KMT2ACYP1A2CYP3A4RAB9A
SCHEMBL24796300 0.88 CYP1A2 (0.40) ALDH1A1KMT2ACYP1A2CYP3A4RAB9A
SCHEMBL24795886 0.86 ALDH1A1 (0.39) ALDH1A1KMT2ARAB9ASMN1; SMN2ATM
SCHEMBL21389183 0.86 ALDH1A1 (0.39) ALDH1A1KMT2ARAB9ASMN1; SMN2ATM
SCHEMBL21389145 0.86 ALDH1A1 (0.42) ALDH1A1KMT2ARAB9ASMN1; SMN2ATM
SCHEMBL24796162 0.85 CYP1A2 (0.42) ALDH1A1KMT2ACYP1A2CYP3A4RAB9A
SCHEMBL24796295 0.85 ATM (0.49) ALDH1A1KMT2ARAB9ASMN1; SMN2ATM
SCHEMBL21389478 0.85 HTT (0.44) ALDH1A1KMT2ACYP1A2CYP3A4RAB9A
SCHEMBL26746350 0.85 RAB9A (0.41) ALDH1A1KMT2ARAB9ASMN1; SMN2ATM
SCHEMBL26746271 0.85 RAB9A (0.39) ALDH1A1RAB9ASMN1; SMN2ATML3MBTL1

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-11535660-B1 Modulators of G-protein coupled receptors Cannot Therapeutics, Inc. (US) 2022-12-27 — — US disclosed
WO-2019183577-A1 MODULATORS OF G-PROTEIN COUPLED RECEPTORS CARMOT THERAPEUTICS, INC. (US) 2019-09-26 — — 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-11535660-B1 Modulators of G-protein coupled receptors GIPR, GLP1R, GCGR ALDH1A1 3367/4885KMT2A 2741/4885CYP1A2 4309/4885

“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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