SCHEMBL3470982

SCHEMBL3470982

NCC(c1ccccc1C(F)(F)F)N1CCOCC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.67
MC4R P32245 1/20 0.49
MAPT P10636 1/20 0.43
AKR1C3 P42330 1/20 0.40
SLC6A2 P23975 2/20 0.39
CNR2 P34972 2/20 0.39
SLC6A4 P31645 1/20 0.39
P2RX7 Q99572 4/20 0.39
CACNA2D1 P54289 1/20 0.38
CACNA1B Q00975 1/20 0.38
CACNB1 Q02641 1/20 0.38
CACNA1C Q13936 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
OPRL1 P41146 1/20 0.38
PRKDC P78527 1/20 0.37
TACR1 P25103 1/20 0.37
USP2 O75604 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL15797300 0.82 DPP4 (0.70) DPP4MC4RSLC6A2SLC6A4P2RX7
SCHEMBL8276869 0.80 DPP4 (1.00) DPP4MC4RSLC6A2SLC6A4P2RX7
SCHEMBL1160282 0.77 DPP4 (0.67) DPP4MC4RMAPTSLC6A2SLC6A4
SCHEMBL7894701 0.75 RPS6KB1 (0.53) DPP4
SCHEMBL20746267 0.74 DPP4 (0.64) DPP4SLC6A2SLC6A4CYP1A2CYP3A4
SCHEMBL856294 0.74 DPP4 (0.64) DPP4SLC6A2SLC6A4CYP1A2CYP3A4
SCHEMBL14593236 0.74 CACNA2D1 (0.45) MC4RMAPTCACNA2D1CACNA1BCACNB1
SCHEMBL5413890 0.74 CACNA2D1 (0.45) MC4RMAPTCACNA2D1CACNA1BCACNB1
SCHEMBL3472406 0.73 ALDH1A1 (0.49) DPP4MC4RMAPTAKR1C3CNR2
SCHEMBL16461105 0.73 DPP4 (0.58) DPP4MAPTSLC6A2P2RX7CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105663-A1 2-(HETEROARYL) ALKYL INDAZOLE 6-PHENYL AND THIENYL METHYL AMIDE AS THROMBIN INHIBITORS BAYER HEALTHCARE AG (DE) 2010-04-29 US disclosed
US-20100105663-A1 2-(HETEROARYL) ALKYL INDAZOLE 6-PHENYL AND THIENYL METHYL AMIDE AS THROMBIN INHIBITORS BAYER HEALTHCARE AG (DE) 2010-04-29 US disclosed
US-20100105663-A1 2-(HETEROARYL) ALKYL INDAZOLE 6-PHENYL AND THIENYL METHYL AMIDE AS THROMBIN INHIBITORS BAYER HEALTHCARE AG (DE) 2010-04-29 US disclosed
EP-2044031-A1 2-(HETEROARYL) ALKYL INDAZOLE 6-PHENYL AND THIENYL METHYL AMIDE AS THROMBIN INHIBITORS Bayer HealthCare AG (DE) 2009-04-08 EP disclosed
WO-2008006479-A1 2-(HETEROARYL) ALKYL INDAZOLE 6-PHENYL AND THIENYL METHYL AMIDE AS THROMBIN INHIBITORS BAYER HEALTHCARE AG (DE) 2008-01-17 WO disclosed
WO-2008006479-A1 2-(HETEROARYL) ALKYL INDAZOLE 6-PHENYL AND THIENYL METHYL AMIDE AS THROMBIN INHIBITORS BAYER HEALTHCARE AG (DE) 2008-01-17 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-20100105663-A1 2-(HETEROARYL) ALKYL INDAZOLE 6-PHENYL AND THIENYL METHYL AMIDE AS THROMBIN INHIBITORS F2, TFPI, PLAT DPP4 170/4885MC4R 2957/4885MAPT 3748/4885

“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.