SCHEMBL2077599

SCHEMBL2077599

FNNc1ccc(OCCN2CCOCC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.58
▸ RAB9A P51151 1/20 0.58
▸ LTA4H P09960 1/20 0.57
▸ CA12 O43570 1/20 0.56
▸ CA1 P00915 1/20 0.56
▸ CA2 P00918 1/20 0.56
▸ CA7 P43166 1/20 0.56
▸ CA9 Q16790 1/20 0.56
▸ ALDH1A1 P00352 3/20 0.55
▸ CYP1A2 P05177 2/20 0.55
▸ MAPK1 P28482 2/20 0.55
▸ CHRM2 P08172 1/20 0.55
▸ CHRM1 P11229 1/20 0.55
▸ HTR2A P28223 1/20 0.55
▸ SCN1A P35498 1/20 0.55
▸ HTR2B P41595 1/20 0.55
▸ KCNH2 Q12809 1/20 0.55
▸ SCN2A Q99250 1/20 0.55
▸ SIGMAR1 Q99720 1/20 0.55
▸ SCN3A Q9NY46 1/20 0.55

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
SCHEMBL3398839 0.87 NPC1 (0.59) NPC1RAB9ALTA4HCA12CA1
SCHEMBL113405 0.82 LTA4H (0.63) NPC1RAB9ALTA4HCA12CA1
SCHEMBL19560190 0.80 LTA4H (0.67) NPC1RAB9ALTA4HCA12CA1
SCHEMBL11876984 0.80 NPC1 (0.70) NPC1RAB9ALTA4HCA12CA1
SCHEMBL5785769 0.80 GAA (0.60) NPC1RAB9ALTA4HCA12CA1
SCHEMBL14577989 0.80 NPC1 (0.69) NPC1RAB9ALTA4HCA12CA1
SCHEMBL11882168 0.79 KDM4E (0.62) NPC1RAB9ALTA4HCA12CA1
SCHEMBL12764930 0.79 ALDH1A1 (0.61) NPC1RAB9ALTA4HCA12CA1
SCHEMBL14368318 0.79 CA12 (0.58) NPC1RAB9ALTA4HCA12CA1
SCHEMBL4974321 0.78 EPHX2 (0.70) NPC1RAB9ALTA4HALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902183-B2 Thiazolyl-dihydro-indazole BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-08 — — US disclosed
US-20070270401-A1 Thiazolyl-Dihydro-Indazole BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-22 — — 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-20070270401-A1 Thiazolyl-Dihydro-Indazole MKI67, INSR, CCNT1 NPC1 207/4885RAB9A 1655/4885LTA4H 3444/4885

“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.

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