SCHEMBL18654019

SCHEMBL18654019

CC(C)(C)Cc1ccc2ccn(CC(C)(C)C)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.42
HTR2C P28335 7/20 0.39
HTR2A P28223 6/20 0.39
ESR1 P03372 1/20 0.36
HDAC8 Q9BY41 2/20 0.36
EPHX2 P34913 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
HTR6 P50406 1/20 0.35
GRM2 Q14416 1/20 0.34
AR P10275 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33

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
SCHEMBL18653975 0.87 GRM2 (0.41) HTR7HTR2CHTR2AESR1HDAC8
SCHEMBL24143572 0.79 HTR2C (0.57) HTR7HTR2CHTR2AGRM2AR
SCHEMBL23031957 0.79 CYP2A6 (0.50) HTR7ESR1
SCHEMBL24144443 0.78 HTR7 (0.63) HTR7HTR2CHTR2AHTR6
SCHEMBL24144949 0.75 HTR7 (0.53) HTR7HTR2CHTR2AAR
SCHEMBL26674340 0.75 HTR7 (0.51) HTR7HTR2CHTR2A
SCHEMBL418336 0.73 CDK4 (0.61) HTR2CHTR2AHTR6
SCHEMBL21872476 0.70 HTR2C (0.46) HTR7HTR2CHTR2AEPHX2GRM2
SCHEMBL26674221 0.70 HTR2C (0.46) HTR7HTR2CHTR2AEPHX2GRM2
SCHEMBL27659461 0.70 HTR2C (0.40) HTR7HTR2CHTR2AHTR6AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10000454-B2 Antidiabetic tricyclic compounds MERCK SHARP & DOHME (US) 2018-06-19 US disclosed
US-20170081287-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME LLC 2017-03-23 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-10000454-B2 Antidiabetic tricyclic compounds GPR119, GPR65, GPR52 HTR7 536/4885HTR2C 356/4885HTR2A 229/4885
US-20170081287-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS GPR119, GPR65, GPR52 HTR7 536/4885HTR2C 356/4885HTR2A 229/4885

“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.