SCHEMBL2379111

SCHEMBL2379111

CC(=O)N1CCC(C)C(N)CC1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 7/20 0.42
▸ EPHX1 P07099 3/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ QDPR P09417 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.34

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
SCHEMBL2377686 0.86 EPHX2 (0.37) EPHX2EPHX1CYP1A2TDP1KDM4E
SCHEMBL16169058 0.86 EPHX2 (0.37) EPHX2EPHX1CYP1A2TDP1KDM4E
SCHEMBL21325280 0.84 CYP1A2 (0.50) EPHX2EPHX1CYP1A2TDP1KDM4E
SCHEMBL90563 0.78 CYP1A2 (0.48) EPHX2EPHX1CYP1A2TDP1KDM4E
SCHEMBL2376108 0.76 HPGD (0.54) EPHX1KDM4ESMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL1132378 0.76 GNAI3 (0.50) EPHX2EPHX1CYP1A2TDP1KDM4E
SCHEMBL27183 0.75 ALDH1A1 (0.56) EPHX2EPHX1CYP1A2TDP1KDM4E
SCHEMBL83783 0.75 CYP1A2 (0.50) EPHX2EPHX1CYP1A2TDP1KDM4E
Hydrochloric Acid SCHEMBL16397180 0.74 GNAI3 (0.49) EPHX2EPHX1CYP1A2TDP1KDM4E
SCHEMBL6631486 0.74 EPHX2 (0.40) EPHX2EPHX1CYP1A2TDP1KDM4E

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-8012974-B2 Pyrrolopyrazinyl urea kinase inhibitors ROCHE PALO ALTO LLC (US) 2011-09-06 — — US disclosed
US-20100144745-A1 Pyrrolopyrazinyl Urea Kinase Inhibitors ROCHE PALO ALTO LLC 2010-06-10 — — 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-20100144745-A1 Pyrrolopyrazinyl Urea Kinase Inhibitors JAK1, JAK3, ULK3 EPHX2 3904/4885EPHX1 3678/4885CYP1A2 2869/4885

“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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