SCHEMBL5281680

SCHEMBL5281680

CNCCc1cc(Cl)cc(Cl)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 8/20 0.64
ATM Q13315 2/20 0.48
MAPT P10636 2/20 0.45
TSHR P16473 2/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
ALOX15 P16050 1/20 0.45
NFKB1 P19838 1/20 0.45
MAPK1 P28482 1/20 0.45
THPO P40225 1/20 0.45
HIF1A Q16665 1/20 0.45
HSD17B10 Q99714 1/20 0.45
SIGMAR1 Q99720 2/20 0.45
TMEM97 Q5BJF2 1/20 0.45
KDM4E B2RXH2 1/20 0.44
GMNN O75496 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
BLM P54132 1/20 0.44

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
SCHEMBL5283745 0.86 TAAR1 (0.55) TAAR1ATMMAPTTSHRTP53
SCHEMBL15211305 0.81 TAAR1 (0.50) TAAR1ATMMAPTTSHRTP53
SCHEMBL1108512 0.79 TAAR1 (1.00) TAAR1ATMALDH1A1HPGDSMN1; SMN2
SCHEMBL5287659 0.76 TAAR1 (0.64) TAAR1ATMMAPTTSHRTP53
SCHEMBL681408 0.76 TAAR1 (1.00) TAAR1ATMMAPTTSHRTP53
SCHEMBL2355446 0.76 TSHR (0.57) TAAR1TSHRTP53ALDH1A1CNR1
SCHEMBL10982263 0.76 TAAR1 (0.50) TAAR1ATMMAPTTSHRTP53
SCHEMBL10979039 0.76 TAAR1 (0.50) TAAR1ATMMAPTTSHRTP53
SCHEMBL17788520 0.76 TAAR1 (0.40) TAAR1TSHRCYP1A2HSD17B10SIGMAR1
SCHEMBL27830402 0.76 TAAR1 (0.79) TAAR1ATMMAPTSIGMAR1ALDH1A1

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-20160151335-A1 METHODS OF MODULATING CFTR ACTIVITY PROTEOSTASIS THERAPEUTICS, INC. (US) 2016-06-02 US disclosed
WO-2014210159-A1 METHODS OF MODULATING CFTR ACTIVITY PROTEOSTASIS THERAPEUTICS, INC. (US) 2014-12-31 WO disclosed
WO-2006103342-A9 INDANYL-PIPERAZINE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SERVIER LAB (FR) 2007-10-25 WO disclosed
WO-2006103342-A2 INDANYL-PIPERAZINE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2006-10-05 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-20160151335-A1 METHODS OF MODULATING CFTR ACTIVITY CFTR, HSP90B1, SERPINB1 TAAR1 4242/4885ATM 3539/4885MAPT 4324/4885

“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.