SCHEMBL997622

SCHEMBL997622

O=C(Nc1ccc(F)cc1)N1CCCc2c([nH]c3ccccc23)C1

nearest known ligand 0.88

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 16/20 0.88
NAMPT P43490 1/20 0.61
MAPT P10636 2/20 0.61
MEN1 O00255 1/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
KMT2A Q03164 1/20 0.61
MCL1 Q07820 1/20 0.61
POLB P06746 1/20 0.58
CDK4 P11802 1/20 0.58
CCND1 P24385 1/20 0.58

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
SCHEMBL999838 0.93 TRPV1 (1.00) TRPV1NAMPTMAPTMEN1CYP1A2
SCHEMBL1000937 0.91 TRPV1 (0.72) TRPV1NAMPTMAPTMEN1CYP1A2
SCHEMBL999867 0.90 TRPV1 (0.74) TRPV1
SCHEMBL998030 0.89 TRPV1 (0.88) TRPV1NAMPTMAPTMEN1CYP1A2
SCHEMBL998529 0.89 TRPV1 (0.88) TRPV1NAMPTMAPTMEN1CYP1A2
SCHEMBL999373 0.89 TRPV1 (0.88) TRPV1CDK4CCND1
SCHEMBL997416 0.86 TRPV1 (0.71) TRPV1NAMPTMAPTMEN1CYP1A2
SCHEMBL998122 0.86 TRPV1 (0.66) TRPV1NAMPTMAPTMEN1CYP1A2
SCHEMBL999203 0.86 TRPV1 (0.88) TRPV1NAMPTMAPTMEN1CYP1A2
SCHEMBL1000456 0.86 TRPV1 (0.68) TRPV1MAPTMEN1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1637521-B1 NOVEL TRICYCLIC HETEROCYCLE COMPOUND ONO PHARMACEUTICAL CO (JP) 2013-06-19 EP disclosed
US-7872133-B2 Tricyclic heterocycle compound ONO PHARMACEUTICAL CO., LTD. (JP) 2011-01-18 US disclosed
US-20060154944-A1 Novel tricyclic heterocycle compound ONO PHARMACEUTICAL CO., LTD. (JP) 2006-07-13 US disclosed
EP-1637521-A1 NOVEL TRICYCLIC HETEROCYCLE COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2006-03-22 EP 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-20060154944-A1 Novel tricyclic heterocycle compound CYP11B1, CYP11B2, HCCS TRPV1 2437/4885NAMPT 1807/4885MAPT 4705/4885

“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.