SCHEMBL3024252

SCHEMBL3024252

COc1cc(C)c(CCC#N)cc1Br

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 11/20 0.42
TAAR1 Q96RJ0 4/20 0.42
HTR2C P28335 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL16481681 0.86 TAAR1 (0.44) HTR2ATAAR1SMN1; SMN2KDM4EALDH1A1
SCHEMBL3152528 0.81 TAAR1 (0.44) HTR2ATAAR1HTR2CSMN1; SMN2
SCHEMBL333776 0.78 HTR2A (0.46) HTR2ATAAR1HTR2CSMN1; SMN2
SCHEMBL27772997 0.74 PDE4A (0.47) HTR2ATAAR1HTR2CKDM4EALDH1A1
SCHEMBL27869012 0.72 PYCR1 (0.49) HTR2ATAAR1HTR2CKDM4E
SCHEMBL10667947 0.72 MAPT (0.48) SMN1; SMN2L3MBTL1KDM4EALDH1A1
SCHEMBL12978347 0.72 MEN1 (0.47) HTR2ATAAR1KDM4EALDH1A1
SCHEMBL15701378 0.72 HTT (0.37)
SCHEMBL27785360 0.71 CYP1A2 (0.41) HTR2ATAAR1HTR2CALDH1A1
SCHEMBL2862226 0.70 L3MBTL1 (0.50) HTR2ATAAR1HTR2CSMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100210680-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES N.V. ORGANON 2010-08-19 US disclosed
US-20100210680-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES N.V. ORGANON 2010-08-19 US disclosed
US-20100210680-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES N.V. ORGANON 2010-08-19 US disclosed
EP-2203454-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES N.V. Organon (NL) 2010-07-07 EP disclosed
WO-2009037220-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES N.V. ORGANON (NL) 2009-03-26 WO disclosed
WO-2009037220-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES N.V. ORGANON (NL) 2009-03-26 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-20100210680-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES TPH1, HTR2C, TPH2 HTR2A 10/4885TAAR1 103/4885HTR2C 2/4885

“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.