SCHEMBL4298083

SCHEMBL4298083

O=C(c1cccc(N2CCCNCC2)n1)N1CCC[C@@H](Oc2cccc(F)c2)C1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.50
HTR2C P28335 1/20 0.48
PRKCA P17252 1/20 0.42
PRKCQ Q04759 1/20 0.42
PRKCD Q05655 1/20 0.42
MLNR O43193 2/20 0.39
DGAT2 Q96PD7 1/20 0.39
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
KCNH2 Q12809 3/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP1A2 P05177 1/20 0.37

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
SCHEMBL4298087 1.00 HRH3 (0.50) HRH3HTR2CPRKCAPRKCQPRKCD
SCHEMBL4301609 1.00 HRH3 (0.50) HRH3HTR2CPRKCAPRKCQPRKCD
SCHEMBL7881453 0.96 HRH3 (0.49) HRH3HTR2CPRKCAPRKCQPRKCD
SCHEMBL4300155 0.91 PRKCA (0.44) HRH3HTR2CPRKCAPRKCQPRKCD
SCHEMBL4300154 0.91 PRKCA (0.44) HRH3HTR2CPRKCAPRKCQPRKCD
SCHEMBL4298258 0.90 HCRTR1 (0.42) HRH3PRKCAPRKCQPRKCDDGAT2
SCHEMBL4298265 0.90 HCRTR1 (0.42) HRH3PRKCAPRKCQPRKCDDGAT2
SCHEMBL4305001 0.90 HCRTR1 (0.42) HRH3PRKCAPRKCQPRKCDDGAT2
SCHEMBL4292670 0.87 PRKCA (0.44) HRH3PRKCAPRKCQPRKCDMLNR
SCHEMBL4292664 0.87 PRKCA (0.44) HRH3PRKCAPRKCQPRKCDMLNR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090197859-A1 Pyridinyl Amides for the Treatment of CNS and Metabolic Disorders PFIZER INC. 2009-08-06 US disclosed
US-20090197859-A1 Pyridinyl Amides for the Treatment of CNS and Metabolic Disorders PFIZER INC. 2009-08-06 US disclosed
US-20090197859-A1 Pyridinyl Amides for the Treatment of CNS and Metabolic Disorders PFIZER INC. 2009-08-06 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-20090197859-A1 Pyridinyl Amides for the Treatment of CNS and Metabolic Disorders HTR6, HTR5A, TPH1 HRH3 405/4885HTR2C 18/4885PRKCA 3735/4885

“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.