SCHEMBL5927199

SCHEMBL5927199

O=C(N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)O)c1cc(Cl)ccc1NCC1CCNCC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 12/20 0.48
▸ CHRM2 P08172 2/20 0.48
▸ CHRM4 P08173 2/20 0.48
▸ CHRM3 P20309 2/20 0.48
▸ ERAP1 Q9NZ08 2/20 0.45
▸ CHRM5 P08912 1/20 0.45
▸ ITGB1 P05556 1/20 0.44
▸ ITGA4 P13612 1/20 0.44
▸ NHERF1 O14745 1/20 0.44
▸ PYGL P06737 1/20 0.44
▸ PDK1 Q15118 1/20 0.44
▸ PDK2 Q15119 1/20 0.44
▸ PDK3 Q15120 1/20 0.44
▸ PDK4 Q16654 1/20 0.44
▸ ITGB3 P05106 1/20 0.43
▸ ITGA2B P08514 1/20 0.43

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
SCHEMBL5927203 0.85 CHRM1 (0.48) CHRM1CHRM2CHRM4CHRM3CHRM5
SCHEMBL5927082 0.78 ITGB1 (0.50) ERAP1ITGB1ITGA4PDK1PDK2
SCHEMBL5926657 0.77 ERAP1 (0.48) ERAP1ITGB1ITGA4NHERF1PYGL
SCHEMBL5927209 0.76 ITGB1 (0.55) ITGB1ITGA4NHERF1PYGLPDK1
SCHEMBL5926900 0.75 ITGB1 (0.47) ERAP1ITGB1ITGA4NHERF1PYGL
SCHEMBL8340240 0.75 KCNA5 (0.60) ITGB1ITGA4
SCHEMBL5926755 0.75 KCNA5 (0.60) ITGB1ITGA4
SCHEMBL5926681 0.75 ERAP1 (0.53) ERAP1ITGB1ITGA4NHERF1PYGL
SCHEMBL5927573 0.73 ITGA4 (0.45) ERAP1ITGB1ITGA4
SCHEMBL5926298 0.73 ITGA4 (0.47) ERAP1ITGB1ITGA4

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-20060276518-A1 Aryl and heteroaryl compounds and methods to modulate coagulation TRANSTECH PHARMA, INC. 2006-12-07 — — US disclosed
US-7122580-B2 Aryl and heteroaryl compounds and methods to modulate coagulation TRANSTECH PHARMA, INC. (US) 2006-10-17 — — US disclosed
WO-2004014844-A2 ARYL AND HETEROARYL COMPOUNDS AND METHODS TO MODULATE COAGULATION TRANSTECH PHARMA, INC. (US) 2004-02-19 — — 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-20060276518-A1 Aryl and heteroaryl compounds and methods to modulate coagulation TFPI, F9, F2 CHRM1 2567/4885CHRM2 2156/4885CHRM4 3594/4885

“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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