SCHEMBL1332907

SCHEMBL1332907

CC(C)P(c1ccnn1-c1c(-c2ccccc2)nn(-c2ccccc2)c1-c1ccccc1)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CCNA2 P20248 2/20 0.35
CDK2 P24941 2/20 0.35
ALDH1A1 P00352 2/20 0.34
PTGS2 P35354 3/20 0.34
PTGS1 P23219 2/20 0.34
POLB P06746 1/20 0.34
MDM2 Q00987 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
SCHEMBL11998814 0.86 CA1 (0.34) HTR2AHTR2CHTR2BCA1CA2
SCHEMBL140011 0.83 CA1 (0.37) HTR2AHTR2CHTR2BCA1CA2
SCHEMBL12930022 0.82 CYP2C9 (0.43) HTR2AHTR2CHTR2BCA1CA2
SCHEMBL15200385 0.80 ALDH1A1 (0.37) HTR2AHTR2CHTR2BCA1CA2
SCHEMBL18806835 0.78 CA1 (0.37) HTR2AHTR2CHTR2BCA1CA2
SCHEMBL26684224 0.77 PTGS2 (0.38) HTR2AHTR2CHTR2BCA1CA2
SCHEMBL409808 0.77 CA1 (0.41) HTR2AHTR2CHTR2BCA1CA2
SCHEMBL16805457 0.75 TSHR (0.34) HTR2AHTR2CHTR2BCA1CA2
SCHEMBL20272132 0.75 TSHR (0.34) HTR2AHTR2CHTR2BCA1CA2
SCHEMBL10227709 0.73 CCNA2 (0.40) HTR2AHTR2CHTR2BCA1CA2

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-20110281854-A1 MORPHOLINE COMPOUNDS PFIZER INC 2011-11-17 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-20110281854-A1 MORPHOLINE COMPOUNDS REN, MC2R, NR3C2 HTR2A 565/4885HTR2C 367/4885HTR2B 459/4885

“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.