SCHEMBL18596014

SCHEMBL18596014

CCc1ncc(C2CCCN2C(=O)I)[nH]1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 4/20 0.37
▸ HCRTR2 O43614 4/20 0.37
▸ BAZ2A Q9UIF9 1/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ NR1I2 O75469 1/20 0.36
▸ ABCB11 O95342 1/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ AADAT Q8N5Z0 1/20 0.36
▸ CYP1A2 P05177 1/20 0.34
▸ HSD11B1 P28845 1/20 0.33
▸ PRCP P42785 1/20 0.33
▸ CCNC P24863 1/20 0.33
▸ CDK8 P49336 1/20 0.33

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
SCHEMBL17069048 0.70 BAZ2A (0.43) HCRTR1HCRTR2BAZ2ACYP3A4CYP2C9
SCHEMBL19116608 0.68 BRS3 (0.39) —
SCHEMBL12469206 0.68 ALDH1A1 (0.47) —
SCHEMBL12469204 0.68 ALDH1A1 (0.47) —
SCHEMBL13012705 0.66 PREP (0.44) CYP3A4CYP2C9NR1I2ABCB11OPRK1
SCHEMBL17069047 0.66 ALDH1A1 (0.47) —
SCHEMBL475038 0.65 ALDH1A1 (0.52) —
SCHEMBL903683 0.65 ALDH1A1 (0.47) —
SCHEMBL903678 0.65 ALDH1A1 (0.52) —
SCHEMBL8520522 0.65 CYP3A4 (0.64) CYP3A4CYP2C9NR1I2ABCB11OPRK1

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-20190015402-A1 Anti-Viral Compounds ABBVIE INC. (US) 2019-01-17 — — US disclosed
US-9586978-B2 Anti-viral compounds ABBVIE INC. (US) 2017-03-07 — — 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-20190015402-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS HCRTR1 4113/4885HCRTR2 4609/4885BAZ2A 1439/4885

“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