SCHEMBL3473785

SCHEMBL3473785

CN1CCN(C(CN)c2ccc(F)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MC4R P32245 11/20 0.52
AKT1S1 Q96B36 2/20 0.51
RPS6KB1 P23443 2/20 0.51
CCR3 P51677 2/20 0.50
MC1R Q01726 1/20 0.49

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
SCHEMBL2836180 0.85 CCR3 (0.50) MC4RRPS6KB1CCR3
SCHEMBL3471054 0.84 RPS6KB1 (0.51) AKT1S1RPS6KB1
SCHEMBL26921276 0.83 CHRM2 (0.55) MC4RAKT1S1RPS6KB1
SCHEMBL2843665 0.83 MC4R (0.62) MC4RRPS6KB1CCR3
SCHEMBL25375773 0.83 MC4R (0.62) MC4RRPS6KB1CCR3
SCHEMBL3470901 0.80 ACHE (0.53) AKT1S1RPS6KB1
SCHEMBL15719671 0.80 SLC6A4 (0.58) MC4RAKT1S1RPS6KB1
Hydrochloric Acid SCHEMBL17107316 0.79 SLC6A4 (0.57) MC4RAKT1S1RPS6KB1
SCHEMBL16460909 0.79 P2RX7 (0.48) AKT1S1RPS6KB1
SCHEMBL7395502 0.77 CYP2D6 (0.66)

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
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

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 MC4R 2957/4885AKT1S1 3067/4885RPS6KB1 2981/4885

“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.