SCHEMBL3471054

SCHEMBL3471054

NCC(c1ccc(F)cc1)N1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RPS6KB1 P23443 10/20 0.51
▸ AKT1S1 Q96B36 3/20 0.49
▸ ACHE P22303 2/20 0.47
▸ TP53 P04637 3/20 0.47
▸ LMNA P02545 2/20 0.45
▸ THRB P10828 1/20 0.45
▸ AKT1 P31749 1/20 0.44
▸ AKT2 P31751 1/20 0.44
▸ AKT3 Q9Y243 1/20 0.44
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42

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
SCHEMBL3473785 0.84 MC4R (0.52) RPS6KB1AKT1S1
SCHEMBL15719671 0.84 SLC6A4 (0.58) RPS6KB1AKT1S1CYP2D6
SCHEMBL3470901 0.84 ACHE (0.53) RPS6KB1AKT1S1ACHETSHR
Hydrochloric Acid SCHEMBL17107316 0.83 SLC6A4 (0.57) RPS6KB1AKT1S1CYP2D6
SCHEMBL16460909 0.83 P2RX7 (0.48) RPS6KB1AKT1S1AKT1AKT2AKT3
SCHEMBL16461973 0.81 RPS6KB1 (0.50) RPS6KB1AKT1S1TP53LMNATHRB
SCHEMBL14435697 0.81 TP53 (0.48) ACHETP53LMNATHRBCYP1A2
SCHEMBL468998 0.81 CYP1A2 (0.62) RPS6KB1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL15017817 0.81 CYP1A2 (0.62) RPS6KB1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL5096867 0.81 RPS6KB1 (0.52) RPS6KB1CYP1A2CYP3A4CYP2D6TSHR

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 1 patent. 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

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 RPS6KB1 2981/4885AKT1S1 3067/4885ACHE 1054/4885

“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.

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