SCHEMBL14097919

SCHEMBL14097919

CCCN1Cc2cn[nH]c2C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.43
▸ DRD2 P14416 2/20 0.43
▸ DRD3 P35462 2/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ ADRB2 P07550 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ DRD1 P21728 1/20 0.43
▸ DRD4 P21917 1/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ GRM5 P41594 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ BLM P54132 2/20 0.43
▸ PSEN1 P49768 3/20 0.39
▸ PSEN2 P49810 3/20 0.39
▸ APH1B Q8WW43 3/20 0.39

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
SCHEMBL13355034 0.85 PSEN1 (0.37) LMNADRD2DRD3CYP1A2CYP2C19
SCHEMBL6369721 0.74 PDCD1LG2 (0.44) LMNADRD2DRD3CYP1A2CYP2C19
SCHEMBL13550112 0.74 PNMT (0.41) LMNADRD2DRD3CYP1A2CYP2C19
SCHEMBL25159795 0.73 HTR7 (0.48) LMNADRD2DRD3CYP1A2CYP2C19
SCHEMBL25159705 0.73 HTR1A (0.48) LMNADRD2DRD3CYP1A2CYP2C19
SCHEMBL23831020 0.71 PSEN1 (0.32) LMNADRD2DRD3CYP1A2CYP2C19
SCHEMBL19722672 0.68 NAMPT (0.41) BLMPSEN1PSEN2APH1BNCSTN
SCHEMBL21501088 0.67 OGA (0.33) LMNADRD2DRD3CYP1A2CYP2C19
SCHEMBL10035003 0.67 MAOA (0.44) LMNADRD2DRD3CYP1A2CYP2C19
SCHEMBL19941937 0.67 TIPARP (0.33) LMNADRD2DRD3CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7417144-B2 e.g. 1-Methyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazole-4,5-dicarboxylic acid 5-[(4-chloro-phenyl)-amide]4-{[2-fluoro-4-(2-oxo-2H-pyridin-1-yl)-phenyl]-amide}; anticoagulant, antiinflammatory agent; thrombosis, peripheral arterial occlusive disease, stroke, arteriosclerosis, bypass grafting HOFFMAN-LA ROCHE INC. (US) 2008-08-26 — — US disclosed
US-20070015812-A1 Factor Xa inhibitors F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-01-18 — — 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-20070015812-A1 Factor Xa inhibitors F12, F11, F2 LMNA 285/4885DRD2 3144/4885DRD3 1460/4885

“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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