SCHEMBL4635229

SCHEMBL4635229

NC1C2CN(C(=O)c3cc(F)c(F)cc3Cl)CC12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.63
HPGD P15428 6/20 0.59
MAPT P10636 1/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
POLB P06746 2/20 0.47
PLAU P00749 1/20 0.43
ELANE P08246 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
NTRK1 P04629 1/20 0.40
ALDH1A1 P00352 2/20 0.39
APEX1 P27695 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38

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
SCHEMBL4636539 0.86 TSHR (0.46) TSHRHPGDMAPTSMN1; SMN2
SCHEMBL4635848 0.79 P2RX7 (0.50) TSHRHPGDMAPTSMN1; SMN2ALDH1A1
SCHEMBL31454273 0.78 TSHR (0.62) TSHRHPGDMAPTSMN1; SMN2POLB
SCHEMBL4635103 0.77 P2RX7 (0.45) TSHRHPGDNTRK1ALDH1A1MEN1
SCHEMBL4635554 0.77 HPGD (0.44) HPGDMEN1KMT2AP2RX7
SCHEMBL4636532 0.77 P2RX7 (0.46) TSHRHPGDRAB9AALDH1A1GAA
SCHEMBL4636549 0.76 CPS1 (0.53) SMN1; SMN2MEN1KMT2A
SCHEMBL4194748 0.76 HPGD (0.97) TSHRHPGDMAPTSMN1; SMN2POLB
SCHEMBL4788243 0.75 TSHR (0.53) TSHRSMN1; SMN2POLBALDH1A1CA12
SCHEMBL4788064 0.75 TSHR (0.53) TSHRSMN1; SMN2POLBALDH1A1CA12

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-20080300251-A1 Derivatives of 3-Azabicyclo[3.1.0] Hexane as Dipeptidyl Peptidase-IV Inhibitors RANBAXY LABORATORIES LIMITED (IN) 2008-12-04 US disclosed
EP-1931633-A2 DERIVATIVES OF 3-AZABICYCLO[3.1.0]HEXANE AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS Ranbaxy Laboratories Limited (IN) 2008-06-18 EP disclosed
WO-2007029086-A2 DERIVATIVES OF 3-AZABICYCLO[3.1.0]HEXANE AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2007-03-15 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-20080300251-A1 Derivatives of 3-Azabicyclo[3.1.0] Hexane as Dipeptidyl Peptidase-IV Inhibitors DPP4, DPP3, DPP8 TSHR 3221/4885HPGD 2646/4885MAPT 4767/4885

“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.