SCHEMBL21389166

SCHEMBL21389166

O=C(CSCC(=O)NCC1CCC1)NCCN1C(=O)CCCC1=O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.41
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ KMT2A Q03164 3/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ HPGD P15428 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ MITF O75030 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ MDM2 Q00987 1/20 0.33
▸ NPSR1 Q6W5P4 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
SCHEMBL21389478 0.96 HTT (0.44) HTTCYP1A2CYP3A4KMT2AALDH1A1
SCHEMBL24796137 0.86 CYP1A2 (0.39) HTTCYP1A2CYP3A4KMT2AALDH1A1
SCHEMBL24796003 0.86 CYP1A2 (0.37) HTTCYP1A2CYP3A4KMT2AALDH1A1
SCHEMBL24796298 0.85 CYP1A2 (0.38) HTTCYP1A2CYP3A4KMT2AALDH1A1
SCHEMBL21389419 0.85 KMT2A (0.50) KMT2AALDH1A1MEN1KDM4EPOLB
SCHEMBL21389314 0.85 CYP1A2 (0.37) HTTCYP1A2CYP3A4KMT2AALDH1A1
SCHEMBL24795943 0.85 ALDH1A1 (0.39) CYP1A2CYP3A4KMT2AALDH1A1SMN1; SMN2
SCHEMBL24795907 0.85 HPGD (0.43) HTTKMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL21389187 0.84 KMT2A (0.46) CYP1A2CYP3A4KMT2AALDH1A1MEN1
SCHEMBL24796162 0.84 CYP1A2 (0.42) CYP1A2CYP3A4KMT2AALDH1A1KDM4E

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 HTT 689/4885CYP1A2 4309/4885CYP3A4 4044/4885

“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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