SCHEMBL493565

SCHEMBL493565

NCC1CCC([CH]c2ccc(Cl)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.40
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
HTR2C P28335 3/20 0.36
HTR2B P41595 3/20 0.36
HTR2A P28223 1/20 0.36
CXCR4 P61073 1/20 0.35
PRKCQ Q04759 1/20 0.34
MAOB P27338 3/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
HSD17B10 Q99714 1/20 0.33
F10 P00742 1/20 0.33

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
SCHEMBL1119465 0.84 HSD17B10 (0.44) MAOBHSD17B10
SCHEMBL11097338 0.77 HSD17B10 (0.41) NPC1RAB9AMAOBHSD17B10
SCHEMBL8138970 0.75 KMT2A (0.40) NPC1RAB9AMAOBHSD17B10
SCHEMBL18458912 0.72 SLC6A2 (0.47) CNR1SLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL6002534 0.72 HTR3A (0.44) NPC1RAB9ASLC6A2SLC6A4SLC6A3
SCHEMBL493382 0.70 BPTF (0.44) NPC1RAB9AHTR2CHTR2BHTR2A
SCHEMBL19616105 0.69 MAOB (0.36) CNR1MAOBHSD17B10KDM1A
SCHEMBL18458907 0.68 SLC6A2 (0.44) CNR1SLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL23093933 0.67 HSD17B10 (0.44) NPC1RAB9AMAOBHSD17B10KDM1A
SCHEMBL6684345 0.66 SIGMAR1 (0.39) NPC1RAB9ASLC6A2SLC6A4SLC6A3

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
US-8119633-B2 N-{2-[2-(4-benzyl-4-hydroxy-piperidin-1-yl)-2-oxo-ethoxy]-ethyl}-N-ethyl-4-methoxy-2,3,6-trimethyl-phenylsulfonamide; condensing the N-carboxyalkyl phenylsulfonamide with the substituted piperidine; bradykinin receptor antagonists; analgesics; antidiabetics; angiogenesis inhibitors; rheumatic diseases GRUENENTHAL GMBH (DE) 2012-02-21 US disclosed
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US disclosed
US-20080312231-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-12-18 US disclosed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 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 (2 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-20080306084-A1 Substituted Amide Compounds OPRK1, NAA50, ACMSD CNR1 45/4885NPC1 519/4885RAB9A 2004/4885
US-20080312231-A1 Substituted Sulfonamide Compounds SULT2A1, SULT1A1, SCN1A CNR1 81/4885NPC1 1154/4885RAB9A 1575/4885

“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.