SCHEMBL5408640

SCHEMBL5408640

O=C1C(NC(c2ccccc2)(c2ccccc2)c2ccccc2)CCCCN1Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 4/20 0.50
▸ FNTA P49354 1/20 0.46
▸ FNTB P49356 1/20 0.46
▸ APP P05067 1/20 0.46
▸ NPY1R P25929 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ RAMP1 O60894 2/20 0.46
▸ CALCRL Q16602 2/20 0.46
▸ ACE P12821 6/20 0.44
▸ MME P08473 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ F10 P00742 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
SCHEMBL7814776 0.86 ACE (0.40) SRCFNTAFNTBAPPNPY1R
SCHEMBL13929813 0.86 APP (0.49) SRCFNTAFNTBAPPNPY1R
SCHEMBL7814341 0.86 ACE (0.40) SRCFNTAFNTBAPPNPY1R
SCHEMBL13929781 0.86 APP (0.49) SRCFNTAFNTBAPPNPY1R
SCHEMBL7812043 0.85 ACE (0.41) SRCFNTAFNTBAPPNPY1R
SCHEMBL12797532 0.81 NPY1R (0.52) SRCFNTAFNTBAPPNPY1R
SCHEMBL14171435 0.81 NPY1R (0.52) SRCFNTAFNTBAPPNPY1R
SCHEMBL13951758 0.79 APP (0.53) SRCFNTAFNTBAPPNPY1R
SCHEMBL5637605 0.79 FNTA (0.50) SRCFNTAFNTBAPPNPY1R
SCHEMBL5637615 0.79 L3MBTL1 (0.48) SRCFNTAFNTBAPPNPY1R

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-7199147-B2 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-03 — — US disclosed
US-20040138286-A1 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2004-07-15 — — US disclosed
EP-1403255-A1 Rho KINASE INHIBITORS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-03-31 — — EP 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-20040138286-A1 Rho kinase inhibitors ROCK1, ROCK2, ARHGDIA SRC 117/4885FNTA 645/4885FNTB 932/4885

“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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