SCHEMBL4055918

SCHEMBL4055918

O=C(Nc1ccc(Cl)cc1Cl)N1CCCn2cccc2C1c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.43
SHMT2 P34897 1/20 0.40
CFD P00746 2/20 0.40
TAS1R3 Q7RTX0 2/20 0.39
TAS1R1 Q7RTX1 2/20 0.39
TAS1R2 Q8TE23 2/20 0.39
LHCGR P22888 3/20 0.39
ADRA2C P18825 1/20 0.38
CCR1 P32246 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
CYP2C8 P10632 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
KCNH2 Q12809 1/20 0.36
DHODH Q02127 1/20 0.35

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
SCHEMBL4053387 0.89 TAS1R3 (0.46) SHMT2TAS1R3TAS1R1TAS1R2LHCGR
SCHEMBL13904933 0.89 CCR1 (0.46) SHMT2TAS1R3TAS1R1TAS1R2LHCGR
SCHEMBL4052272 0.86 TAS1R3 (0.47) SHMT2TAS1R3TAS1R1TAS1R2LHCGR
SCHEMBL4057583 0.86 SHMT2 (0.43) SHMT2TAS1R3TAS1R1TAS1R2LHCGR
SCHEMBL4052538 0.85 MAPT (0.43) EPHX2CFDTAS1R3TAS1R1TAS1R2
SCHEMBL4051629 0.80 ADRA2C (0.48) EPHX2SHMT2TAS1R3TAS1R1TAS1R2
SCHEMBL4046956 0.80 ADRA2C (0.46) EPHX2SHMT2TAS1R3TAS1R1TAS1R2
SCHEMBL4049747 0.79 SHMT2 (0.47) SHMT2TAS1R3TAS1R1TAS1R2ADRA2C
SCHEMBL4050745 0.78 MAPT (0.46) SHMT2TAS1R3TAS1R1TAS1R2LHCGR
SCHEMBL4053409 0.75 TAS1R3 (0.44) SHMT2TAS1R3TAS1R1TAS1R2CCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009032754-A2 HETEROCYCLODIAZEPINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-03-12 WO disclosed
WO-2009032754-A2 HETEROCYCLODIAZEPINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-03-12 WO disclosed
US-20090062253-A1 HETEROCYCLODIAZEPINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-03-05 US disclosed
US-20090062253-A1 HETEROCYCLODIAZEPINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-03-05 US disclosed
US-20090062253-A1 HETEROCYCLODIAZEPINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-03-05 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-20090062253-A1 HETEROCYCLODIAZEPINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE CNR2, CNR1, GPR18 EPHX2 2132/4885SHMT2 884/4885CFD 3314/4885

“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.