SCHEMBL3544732

SCHEMBL3544732

C[C@@H]1CN(c2ccccc2N=O)[C@@H](C)CN1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.41
HTR2B P41595 4/20 0.41
HTR2A P28223 2/20 0.41
SIGMAR1 Q99720 2/20 0.39
HDAC1 Q13547 1/20 0.38
PIM1 P11309 5/20 0.37
PIM2 Q9P1W9 4/20 0.32
ATR Q13535 1/20 0.31
ATRIP Q8WXE1 1/20 0.31
MAPT P10636 1/20 0.31
ROCK2 O75116 1/20 0.31
ROCK1 Q13464 1/20 0.31

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
SCHEMBL13999774 0.78 SIGMAR1 (0.42) HTR2CHTR2BHTR2ASIGMAR1HDAC1
SCHEMBL11019666 0.78 SIGMAR1 (0.42) HTR2CHTR2BHTR2ASIGMAR1HDAC1
SCHEMBL5568863 0.77 HDAC1 (0.47) HTR2CHTR2BHTR2ASIGMAR1HDAC1
SCHEMBL7649513 0.77 PIM1 (0.42) HTR2CHTR2BHTR2ASIGMAR1HDAC1
SCHEMBL7649520 0.77 PIM1 (0.42) HTR2CHTR2BHTR2ASIGMAR1HDAC1
SCHEMBL7649510 0.77 PIM1 (0.42) HTR2CHTR2BHTR2ASIGMAR1HDAC1
SCHEMBL1738842 0.77 HTR2C (0.41) HTR2CHTR2BHTR2ASIGMAR1HDAC1
SCHEMBL3434216 0.74 MAPT (0.42) HTR2CHTR2BHTR2ASIGMAR1HDAC1
SCHEMBL6802931 0.73 SIGMAR1 (0.49) HTR2CHTR2BHTR2ASIGMAR1HDAC1
SCHEMBL3557231 0.73 SIGMAR1 (0.49) HTR2CHTR2BHTR2ASIGMAR1HDAC1

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-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 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-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 HTR2C 1146/4885HTR2B 2017/4885HTR2A 2045/4885

“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.