SCHEMBL14005273

SCHEMBL14005273

O=C(NNc1cc(N2CCN(Cc3ccc(F)cc3)CC2)ncn1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.52
RAB9A P51151 2/20 0.52
ALDH1A1 P00352 2/20 0.52
EGFR P00533 1/20 0.50
ERBB3 P21860 1/20 0.50
NPC1 O15118 1/20 0.49
ATM Q13315 1/20 0.49
CASP1 P29466 1/20 0.47
CASP4 P49662 1/20 0.47
CASP5 P51878 1/20 0.47
PRKAA2 P54646 2/20 0.46
OPRM1 P35372 1/20 0.46
OPRK1 P41145 1/20 0.46
SLC6A12 P48065 1/20 0.45
TMEM97 Q5BJF2 1/20 0.45
MCHR1 Q99705 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
FAAH O00519 1/20 0.44
HDAC4 P56524 1/20 0.44
KCNH2 Q12809 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
SCHEMBL12321054 0.74 FAAH (0.54) SMN1; SMN2RAB9AALDH1A1ATMOPRM1
SCHEMBL2072611 0.73 SMN1; SMN2 (0.73) SMN1; SMN2RAB9AALDH1A1EGFRERBB3
SCHEMBL14005286 0.72 HRH4 (0.47) SMN1; SMN2RAB9AALDH1A1NPC1CASP1
SCHEMBL4896185 0.72 HRH4 (0.75) RAB9ANPC1CASP1CASP5KDM4E
SCHEMBL4896683 0.69 HRH4 (0.51) RAB9ANPC1CASP1CASP5SIGMAR1
SCHEMBL5577616 0.69 KLKB1 (0.52) PRKAA2OPRM1OPRK1KCNH2
SCHEMBL15008185 0.68 HIF1A (0.61) SMN1; SMN2RAB9AALDH1A1NPC1PRKAA2
SCHEMBL2076559 0.68 RAB9A (0.51) SMN1; SMN2RAB9AALDH1A1EGFRERBB3
SCHEMBL4888066 0.68 HTR7 (0.53) RAB9AEGFRERBB3NPC1CASP1
SCHEMBL4787976 0.68 HTR7 (0.53) RAB9AEGFRERBB3NPC1CASP1

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-20080293711-A1 Chemokine receptor modulators METASTATIX, INC. 2008-11-27 US disclosed
US-20080293711-A1 Chemokine receptor modulators METASTATIX, INC. 2008-11-27 US disclosed
WO-2008112156-A1 CHEMOKINE RECEPTOR MODULATORS ALTIRIS THERAPEUTICS (US) 2008-09-18 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-20080293711-A1 Chemokine receptor modulators CCR5, CCL2, CXCR4 SMN1; SMN2 4829/4885RAB9A 1363/4885ALDH1A1 1359/4885

“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.