SCHEMBL4637313

SCHEMBL4637313

COC1=C(c2cc(Cl)cc(Cl)c2)C(=O)N2C[C@@H](N(C)C(C)=O)C[C@]12Cc1ccc(C#N)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 3/20 0.34
CNR1 P21554 1/20 0.33
POLB P06746 1/20 0.31
KDM1A O60341 3/20 0.31
CCR1 P32246 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP2C19 P33261 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CCR5 P51681 1/20 0.31
ITGB2 P05107 2/20 0.30
ICAM1 P05362 2/20 0.30
ITGAL P20701 2/20 0.30
KCNH2 Q12809 1/20 0.30
DPP4 P27487 1/20 0.30
DPP8 Q6V1X1 1/20 0.30
CYP1A2 P05177 2/20 0.30
CYP2C9 P11712 2/20 0.30
TSHR P16473 2/20 0.30

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
SCHEMBL4637316 1.00 TRPV4 (0.34) TRPV4CNR1POLBKDM1ACCR1
SCHEMBL4905296 1.00 TRPV4 (0.34) TRPV4CNR1POLBKDM1ACCR1
SCHEMBL4637897 0.90 TRPV4 (0.33) TRPV4CNR1KDM1AALDH1A1CYP3A4
SCHEMBL4637901 0.90 TRPV4 (0.33) TRPV4CNR1KDM1AALDH1A1CYP3A4
SCHEMBL4915100 0.88 ITGB2 (0.35) TRPV4KDM1ACCR5ITGB2ICAM1
SCHEMBL4637573 0.88 ITGB2 (0.35) TRPV4KDM1ACCR5ITGB2ICAM1
SCHEMBL4639077 0.88 ITGB2 (0.35) TRPV4KDM1ACCR5ITGB2ICAM1
SCHEMBL4637346 0.85 TRPV4 (0.34) TRPV4CNR1ALDH1A1CYP3A4MAPK1
SCHEMBL4639084 0.84 MCHR1 (0.36) TRPV4CNR1KDM1AALDH1A1CYP3A4
SCHEMBL4637461 0.84 MCHR1 (0.36) TRPV4CNR1KDM1AALDH1A1CYP3A4

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-20080262070-A1 Pharmaceutically Active Tetrahydro-Pyrrolizinone Compounds BAUMANN KARL 2008-10-23 US disclosed
EP-1937685-A1 TETRAHYDRO-PYRROLIZINONE COMPOUNDS AS LFA-I MEDIATORS Novartis AG (CH) 2008-07-02 EP disclosed
WO-2007039286-A1 TETRAHYDRO-PYRROLIZINONE COMPOUNDS AS LFA-I MEDIATORS NOVARTIS AG (CH) 2007-04-12 WO 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-20080262070-A1 Pharmaceutically Active Tetrahydro-Pyrrolizinone Compounds VCAM1, ICAM1, EPCAM TRPV4 430/4885CNR1 1890/4885POLB 3952/4885

“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.