SCHEMBL5115977

SCHEMBL5115977

CC1CC(c2ccccc2C(F)(F)F)=CCN1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.38
TRPA1 O75762 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
CYP1A2 P05177 6/20 0.35
CYP3A4 P08684 2/20 0.35
HTR2C P28335 2/20 0.34
HTR2A P28223 1/20 0.34
CYP2C19 P33261 4/20 0.34
CYP2D6 P10635 3/20 0.34
CLK4 Q9HAZ1 2/20 0.34
NOTUM Q6P988 1/20 0.34
CYP2C9 P11712 1/20 0.34
RECQL P46063 1/20 0.34
MEN1 O00255 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL5505183 0.87 MPL (0.37) HSD11B1HTR2CHTR2A
SCHEMBL4788776 0.79 IDH1 (0.36) TSHR
SCHEMBL1078755 0.77 HTR7 (0.37) TSHR
SCHEMBL4605690 0.76 ALDH1A1 (0.40) HTR2CHTR2AMEN1TSHRKMT2A
SCHEMBL4790016 0.76 CYP2A6 (0.35) HSD11B1TSHRKMT2AHSD17B10
SCHEMBL4789469 0.76 ALDH1A1 (0.35) HTR2CHTR2ATSHR
Hydrochloric Acid SCHEMBL7766719 0.76 HTR7 (0.36) HTR2CMEN1TSHRKMT2A
SCHEMBL8058417 0.72 SLC13A5 (0.38) HSD11B1
Hydrochloric Acid SCHEMBL6335250 0.72 HTR2C (0.49) HTR2C
SCHEMBL5497223 0.72 GRIN1 (0.36) HSD11B1HTR2CHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080032998-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-07 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-20080032998-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine GRM5, GRM1, GRIK5 HSD11B1 3202/4885TRPA1 1481/4885TRPM8 1338/4885

“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.