SCHEMBL10022331

SCHEMBL10022331

CCn1c(C(C)C)cc2ccc(C#N)cc21

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ACSS2 Q9NR19 1/20 0.44
▸ CCR9 P51686 2/20 0.43
▸ CYP11B2 P19099 4/20 0.41
▸ CYP11B1 P15538 3/20 0.41
▸ S1PR1 P21453 2/20 0.38
▸ CYP2A6 P11509 1/20 0.37
▸ BRPF1 P55201 1/20 0.37
▸ SMARCA2 P51531 1/20 0.36
▸ CDC7 O00311 1/20 0.35
▸ PTGER4 P35408 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ RORC P51449 2/20 0.35

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
SCHEMBL10022436 0.88 BRPF1 (0.44) ACSS2CYP11B2CYP11B1S1PR1CYP2A6
SCHEMBL10022420 0.80 CDC7 (0.40) CCR9BRPF1CDC7
SCHEMBL7491601 0.80 CYP11B2 (0.46) ACSS2CCR9CYP11B2CYP11B1S1PR1
SCHEMBL16168681 0.78 CYP2A6 (0.47) ACSS2CCR9CYP11B2CYP11B1S1PR1
SCHEMBL7489858 0.78 SLC6A2 (0.36) ACSS2CCR9CYP11B2CYP11B1S1PR1
SCHEMBL7443187 0.78 SLC6A2 (0.36) ACSS2CCR9CYP11B2CYP11B1S1PR1
SCHEMBL10022666 0.77 CCR9 (0.65) ACSS2CCR9CYP11B2CYP11B1
SCHEMBL21907095 0.76 ACSS2 (0.41) ACSS2CCR9PTGER4
SCHEMBL7435149 0.76 ACSS2 (0.44) ACSS2CCR9CYP11B2CYP11B1CYP2A6
SCHEMBL7220183 0.76 CYP11B2 (0.43) ACSS2CCR9CYP11B2CYP11B1S1PR1

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-20120165322-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 — — US disclosed
US-20120165322-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 — — 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-20120165322-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, RHOA ACSS2 1356/4885CCR9 2200/4885CYP11B2 254/4885

“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.

Send feedback