SCHEMBL13698576

SCHEMBL13698576

COc1ccc(Cl)cc1N1CCN(C(=O)C2CCC3C=CC32)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
TSHR P16473 1/20 0.52
CYP2C9 P11712 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
LMNA P02545 2/20 0.48
TACR3 P29371 1/20 0.48
FFAR4 Q5NUL3 1/20 0.48
HTR3E A5X5Y0 1/20 0.47
HTR3B O95264 1/20 0.47
HTR3A P46098 1/20 0.47
HTR3D Q70Z44 1/20 0.47
HTR3C Q8WXA8 1/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
MC4R P32245 1/20 0.46
AR P10275 3/20 0.45
RBP4 P02753 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL13764664 0.85 MAPT (0.52) MAPTTSHRCYP2C9HDAC1HDAC6
SCHEMBL5240537 0.76 HTR3E (0.61) MAPTTSHRCYP2C9HDAC1HDAC6
SCHEMBL22892259 0.73 LMNA (0.59) MAPTTSHRCYP2C9HDAC1HDAC6
SCHEMBL12632946 0.72 CYP2C9 (0.58) MAPTCYP2C9HDAC1HDAC6LMNA
SCHEMBL13698493 0.70 DRD2 (0.43) MAPTCYP2C9HDAC1HDAC6FFAR4
SCHEMBL4336114 0.69 HTR3E (0.69) CYP2C9HDAC1HDAC6HTR3EHTR3B
SCHEMBL3189731 0.69 ALDH1A1 (0.54) CYP2C9HDAC1HDAC6LMNATACR3
SCHEMBL23252224 0.69 AR (0.71) MAPTTSHRLMNAKMT2AMEN1
SCHEMBL19078428 0.68 HTR3E (0.53) MAPTCYP2C9HDAC1HDAC6LMNA
SCHEMBL13698490 0.68 SMN1; SMN2 (0.62) TSHRFFAR4KMT2AMEN1ALDH1A1

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-20090239873-A1 Phenyl-piperazine derivatives as modulators of muscarinic receptors BLANCO MIGUEL GARCIA-GUZMAN 2009-09-24 US disclosed
US-20090239873-A1 Phenyl-piperazine derivatives as modulators of muscarinic receptors BLANCO MIGUEL GARCIA-GUZMAN 2009-09-24 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-20090239873-A1 Phenyl-piperazine derivatives as modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 MAPT 2515/4885TSHR 98/4885CYP2C9 3179/4885

“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.