SCHEMBL4413610

SCHEMBL4413610

N#Cc1c(F)cc(F)cc1NC1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 5/20 0.41
▸ CTSB P07858 5/20 0.41
▸ CTSS P25774 5/20 0.41
▸ CTSK P43235 5/20 0.41
▸ CCNA2 P20248 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ DHODH Q02127 1/20 0.36
▸ NSD2 O96028 1/20 0.35
▸ CHEK1 O14757 2/20 0.35
▸ KDM1A O60341 2/20 0.33
▸ HTR6 P50406 2/20 0.33
▸ CTSV O60911 1/20 0.33
▸ PLAT P00750 1/20 0.33
▸ CTSH P09668 1/20 0.33
▸ CASP14 P31944 1/20 0.33
▸ CASP4 P49662 1/20 0.33
▸ CASP5 P51878 1/20 0.33
▸ CASP6 P55212 1/20 0.33
▸ CTSZ Q9UBR2 1/20 0.33
▸ MAOB P27338 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
SCHEMBL4399289 0.80 CTSL (0.44) CTSLCTSBCTSSCTSKNSD2
SCHEMBL4749323 0.77 CCNA2 (0.41) CTSLCTSBCTSSCTSKCCNA2
SCHEMBL27644625 0.74 KDM1A (0.40) CTSLCTSBCTSSCTSKCCNA2
SCHEMBL28680437 0.74 TRPV4 (0.35) CTSLCTSBCTSSCTSKCTSV
SCHEMBL13659457 0.73 HTR1A (0.44) CSNK2A2CSNK2A1
SCHEMBL10820261 0.73 NPC1 (0.43) CTSLCTSBCTSSCTSKKDM1A
Hydrochloric Acid SCHEMBL71413 0.72 ACKR3 (0.42) CTSLCTSBCTSSCTSKKDM1A
SCHEMBL14029994 0.72 KMT2A (0.40) CTSLCTSBCTSSCTSKCTSV
SCHEMBL4747092 0.71 MAPT (0.41) CTSLCTSBCTSSCTSKCCNA2
SCHEMBL13440585 0.71 KDM1A (0.33) CTSLCTSBCTSSCTSKKDM1A

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-20090156465-A1 DERIVATIVES OF BETA-AMINO ACID AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2009-06-18 — — US disclosed
EP-1973918-A2 DERIVATIVES OF BETA-AMINO ACID AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS RANBAXY LABORATORIES, LTD. (IN) 2008-10-01 — — EP disclosed
WO-2007077508-A2 DERIVATIVES OF BETA-AMINO ACID AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2007-07-12 — — 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-20090156465-A1 DERIVATIVES OF BETA-AMINO ACID AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS DPP4, DPP3, DPP7 CTSL 186/4885CTSB 512/4885CTSS 518/4885

“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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