SCHEMBL14092175

SCHEMBL14092175

CCC#Cc1ccc(Cl)cc1O[C@H](C)CO

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 7/20 0.39
SLC6A2 P23975 6/20 0.39
SLC6A4 P31645 6/20 0.39
NOS2 P35228 6/20 0.39
KCNH2 Q12809 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TSHR P16473 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
PTGDR2 Q9Y5Y4 3/20 0.32
CYP1A2 P05177 1/20 0.32
PGK1 P00558 1/20 0.30
PPARG P37231 1/20 0.30
PPARD Q03181 1/20 0.30
PPARA Q07869 1/20 0.30
DHODH Q02127 1/20 0.30

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
SCHEMBL12134876 0.83 PTGDR2 (0.34) CYP2D6PTGDR2CYP1A2DHODH
SCHEMBL12092017 0.80 CYP1A2 (0.33) SMN1; SMN2ALDH1A1KDM4EHTR2BPTGDR2
SCHEMBL12092014 0.80 CYP1A2 (0.33) SMN1; SMN2ALDH1A1KDM4EHTR2BPTGDR2
SCHEMBL12092011 0.80 CYP1A2 (0.33) SMN1; SMN2ALDH1A1KDM4EHTR2BPTGDR2
SCHEMBL14047000 0.73 TSHR (0.36) CYP2D6SLC6A4NOS2SMN1; SMN2ALDH1A1
SCHEMBL14092173 0.73 SMN1; SMN2 (0.37) CYP2D6SLC6A4SMN1; SMN2ALDH1A1KDM4E
SCHEMBL9642579 0.72 SMN1; SMN2 (0.54) CYP2D6SLC6A2SMN1; SMN2ALDH1A1KDM4E
SCHEMBL12830571 0.71 TSHR (0.59) SMN1; SMN2ALDH1A1KDM4ETSHRHTR2A
SCHEMBL398940 0.71 HSD17B10 (0.42) CYP2D6SLC6A2SMN1; SMN2ALDH1A1TSHR
SCHEMBL14092176 0.70 MAPT (0.38) SLC6A4KCNH2SMN1; SMN2ALDH1A1KDM4E

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-9949949-B2 Macrocyclic ghrelin receptor modulators and methods of using the same OCERA THERAPEUTICS, INC. (US) 2018-04-24 US disclosed
US-20170042858-A1 MACROCYCLIC GHRELIN RECEPTOR MODULATORS AND METHODS OF USING THE SAME MALLINCKRODT PHARMA IP TRADING UNLIMITED COMPANY 2017-02-16 US disclosed
US-9371297-B2 Macrocyclic ghrelin receptor modulators and methods of using the same OCERA THERAPEUTICS, INC. (US) 2016-06-21 US disclosed
US-20080194672-A1 MACROCYCLIC GHRELIN RECEPTOR MODULATORS AND METHODS OF USING THE SAME TRANZYME PHARMA INC. 2008-08-14 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 (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-20170042858-A1 MACROCYCLIC GHRELIN RECEPTOR MODULATORS AND METHODS OF USING THE SAME GHSR, GHRHR, GIPR CYP2D6 2960/4885SLC6A2 3566/4885SLC6A4 2398/4885
US-20080194672-A1 MACROCYCLIC GHRELIN RECEPTOR MODULATORS AND METHODS OF USING THE SAME GHSR, GHRHR, GIPR CYP2D6 2807/4885SLC6A2 3772/4885SLC6A4 2380/4885

“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.