SCHEMBL16806277

SCHEMBL16806277

Cc1ncc(C)c2oc(=O)cnc12

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 1/20 0.32
▸ CCR5 P51681 1/20 0.32
▸ CCR8 P51685 1/20 0.32
▸ KCNC1 P48547 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ CYP1B1 Q16678 1/20 0.31

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
SCHEMBL16806276 0.76 MAOB (0.34) CCR1CCR5CCR8KCNC1CYP1A2
SCHEMBL16806272 0.72 KDM4E (0.41) CYP1A2CYP1B1
SCHEMBL16806279 0.71 KCNC1 (0.33) KCNC1
SCHEMBL8738219 0.69 CCR1 (0.31) CCR1CCR5CCR8
SCHEMBL16806275 0.69 CCR1 (0.41) CCR1CCR5CCR8KCNC1
SCHEMBL4750515 0.68 CYP1A2 (0.43) CCR1CCR5CCR8CYP1A2CYP1B1
SCHEMBL16806281 0.68 CYP1A2 (0.30) CYP1A2CYP1B1
SCHEMBL21970011 0.64 CCR1 (0.30) CCR1CCR5CCR8
SCHEMBL16806278 0.63 ALDH1A1 (0.36) CYP1A2CYP1B1
SCHEMBL16576791 0.63 CYP3A4 (0.45) CYP1A2CYP1B1

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-9371336-B2 Compounds for treating spinal muscular atrophy PTC THERAPEUTICS, INC. (US) 2016-06-21 — — US disclosed
US-20150166575-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS INC. (US) 2015-06-18 — — 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-20150166575-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY SMN1; SMN2, CPT1B, GYS1 CCR1 4266/4885CCR5 4238/4885CCR8 3985/4885

“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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