SCHEMBL3472728

SCHEMBL3472728

CN1CCN(C(Cn2cc3ccc(C(=O)NCc4cccc(Cl)c4)cc3n2)c2ccc(F)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 6/20 0.58
LMNA P02545 1/20 0.45
MC4R P32245 3/20 0.44
MAPT P10636 2/20 0.41
CCR1 P32246 1/20 0.41
CNR1 P21554 2/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
DRD2 P14416 1/20 0.41
TP53 P04637 2/20 0.40

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
SCHEMBL3472160 0.93 THRB (0.58) THRBLMNACCR1CNR1HTT
SCHEMBL3471601 0.93 THRB (0.59) THRBLMNAMC4RSMN1; SMN2DRD2
SCHEMBL3470661 0.91 THRB (0.60) THRBLMNACCR1CNR1HTT
SCHEMBL3472242 0.85 THRB (0.58) THRBLMNACNR1DRD2TP53
SCHEMBL3473084 0.85 THRB (0.55) THRBLMNAMAPTTP53
SCHEMBL3471557 0.84 THRB (0.54) THRBLMNAMAPTTP53
SCHEMBL3472582 0.84 THRB (0.60) THRBLMNADRD2
SCHEMBL3471633 0.83 THRB (0.56) THRBLMNAMAPTTP53
SCHEMBL3471399 0.81 THRB (0.56) THRBLMNACNR1SMN1; SMN2DRD2
SCHEMBL3472341 0.81 THRB (0.58) THRBLMNACNR1NPSR1DRD2

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-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

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 THRB 548/4885LMNA 1715/4885MC4R 2957/4885

“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.