SCHEMBL15934161

SCHEMBL15934161

CC(C)CCCNC1CCC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
S1PR4 O95977 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
S1PR5 Q9H228 1/20 0.39
KDM4E B2RXH2 3/20 0.39
CXCR4 P61073 9/20 0.38
CXCL12 P48061 1/20 0.38
GNAI3 P08754 2/20 0.36
GNAO1 P09471 2/20 0.36
GNAI1 P63096 2/20 0.36

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
SCHEMBL11932559 0.96 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL24437744 0.94 ALDH1A1 (0.41) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7058555 0.94 CXCR4 (0.44) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL24437738 0.89 ALDH1A1 (0.44) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL28342681 0.88 ALDH1A1 (0.43) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL22507525 0.88 CXCR4 (0.43) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL11723467 0.87 LMNA (0.45) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL11890328 0.86 ALDH1A1 (0.48) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL11055203 0.86 CXCR4 (0.42) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL28100087 0.86 CXCR4 (0.42) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-16 US disclosed
US-20140221332-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2014-08-07 US disclosed
CN-1084739-C Process for producing 2-hydroxybenzamide derivatives ZERIA PHARMACEUTICAL CO.,LTD. (JP) 2002-05-15 CN disclosed
CN-1261357-A Process for preparing 2-hydroxybenzamide derivatives ZERIA PHARM CO LTD (JP) 2000-07-26 CN 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-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 ALDH1A1 1999/4885CYP1A2 1765/4885CYP3A4 2340/4885
US-20140221332-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS OF USE THEREOF GRM5, GRIK5, GRM2 ALDH1A1 2494/4885CYP1A2 3635/4885CYP3A4 2636/4885

“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.