SCHEMBL13306231

SCHEMBL13306231

CN(CCCCCO)C1CC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LSS P48449 4/20 0.40
LMNA P02545 2/20 0.35
ALDH1A1 P00352 2/20 0.35
TSHR P16473 2/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ADH1C P00326 1/20 0.34
ADH1A P07327 1/20 0.34
ADH4 P08319 1/20 0.34
HTR2A P28223 1/20 0.33
SIGMAR1 Q99720 1/20 0.32
CCR4 P51679 1/20 0.32
GRIN2B Q13224 2/20 0.32
OPRM1 P35372 1/20 0.32
OPRL1 P41146 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GPR84 Q9NQS5 1/20 0.31

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
SCHEMBL13306230 0.98 LSS (0.38) LSSLMNAALDH1A1HSD17B10MEN1
SCHEMBL17743406 0.91 LSS (0.34) LSSKMT2ASIGMAR1CCR4GRIN2B
SCHEMBL13306227 0.91
SCHEMBL11067339 0.90 SIGMAR1 (0.41) LSSALDH1A1KMT2AADH1CADH1A
SCHEMBL16822366 0.89 HRH4 (0.36) LSSKMT2AADH1CADH1ASIGMAR1
SCHEMBL17743439 0.87 HRH4 (0.39) LSSALDH1A1KMT2AADH1CADH1A
SCHEMBL17743437 0.87 HRH4 (0.39) LSSALDH1A1KMT2AADH1CADH1A
SCHEMBL11064526 0.87 HRH4 (0.39) LSSALDH1A1KMT2AADH1CADH1A
SCHEMBL15698377 0.86 LSS (0.33) LSS
SCHEMBL7580833 0.84 HRH4 (0.34) LSSKMT2AHTR2ACCR4GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2185525-B1 PYRAZOLE 3,5 CARBOXYLATE DERIVATIVES PREPARATION AND THERAPEUTIC APPLICATION THEREOF SANOFI SA (FR) 2016-12-14 EP disclosed
US-9102628-B2 Derivatives of pyrazole 3,5-carboxylates, their preparation and their application in therapeutics SANOFI (FR) 2015-08-11 US disclosed
US-9102628-B2 Derivatives of pyrazole 3,5-carboxylates, their preparation and their application in therapeutics SANOFI (FR) 2015-08-11 US disclosed
US-20100160377-A1 DERIVATIVES OF PYRAZOLE 3,5-CARBOXYLATES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS SANOFI-AVENTIS (FR) 2010-06-24 US disclosed
US-20100160377-A1 DERIVATIVES OF PYRAZOLE 3,5-CARBOXYLATES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS SANOFI-AVENTIS (FR) 2010-06-24 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 (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-20100160377-A1 DERIVATIVES OF PYRAZOLE 3,5-CARBOXYLATES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS CYP3A5, ADH5, AVPR2 LSS 1582/4885LMNA 2530/4885ALDH1A1 543/4885

“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.