SCHEMBL3471601

SCHEMBL3471601

CN1CCN(C(Cn2cc3ccc(C(=O)NCc4cccc(Cl)c4)cc3n2)c2ccccc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 5/20 0.59
LMNA P02545 2/20 0.47
MC4R P32245 1/20 0.46
DRD2 P14416 1/20 0.44
MEN1 O00255 1/20 0.42
HCRTR1 O43613 1/20 0.42
KMT2A Q03164 1/20 0.42
PPARG P37231 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
ADORA2A P29274 1/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 1/20 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
SCHEMBL3472728 0.93 THRB (0.58) THRBLMNAMC4RDRD2SMN1; SMN2
SCHEMBL3472242 0.92 THRB (0.58) THRBLMNADRD2MEN1HCRTR1
SCHEMBL3472582 0.91 THRB (0.60) THRBLMNADRD2MEN1HCRTR1
SCHEMBL3472341 0.88 THRB (0.58) THRBLMNADRD2MEN1HCRTR1
SCHEMBL3472160 0.86 THRB (0.58) THRBLMNASMN1; SMN2
SCHEMBL3473084 0.85 THRB (0.55) THRBLMNAMEN1KMT2AADORA2A
SCHEMBL3473277 0.85 THRB (0.64) THRBLMNADRD2MEN1HCRTR1
SCHEMBL3471557 0.85 THRB (0.54) THRBLMNAMEN1KMT2AADORA2A
SCHEMBL3470661 0.84 THRB (0.60) THRBLMNAKMT2ASMN1; SMN2
SCHEMBL3478421 0.83 THRB (0.64) THRBLMNADRD2MEN1HCRTR1

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 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.