SCHEMBL13041645

SCHEMBL13041645

CC(C)N1C(=O)N(C2CC2)Cc2c1cccc2C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 16/20 0.46
▸ NOTUM Q6P988 1/20 0.38
▸ CACNA1S Q13698 1/20 0.37
▸ P2RX7 Q99572 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ HTR2B P41595 1/20 0.36

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
SCHEMBL13041646 0.83 MAPK1 (0.47) C5AR1
SCHEMBL13041624 0.74 C5AR1 (0.47) C5AR1
SCHEMBL13041636 0.69 C5AR1 (0.45) C5AR1
SCHEMBL2878324 0.69 HTR2C (0.41) P2RX7HTR2AHTR2CHTR2B
SCHEMBL27782006 0.65 SCN9A (0.46) C5AR1P2RX7HTR2AHTR2CHTR2B
SCHEMBL75469 0.62 HTR2A (0.39) C5AR1NOTUMHTR2AHTR2CHTR2B
SCHEMBL13041632 0.62 IDH1 (0.37) C5AR1HTR2AHTR2CHTR2B
SCHEMBL13041627 0.62 ALDH1A1 (0.42) —
SCHEMBL20119408 0.62 ACACB (0.40) NOTUMP2RX7HTR2B
SCHEMBL19910559 0.61 SMN1; SMN2 (0.39) NOTUMP2RX7

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100278835-A1 NOVEL COMPOUNDS 660 ASTRAZENECA UK LIMITED (GB) 2010-11-04 — — 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-20100278835-A1 NOVEL COMPOUNDS 660 RB1, RPP30, SARS1 C5AR1 265/4885NOTUM 4113/4885CACNA1S 3079/4885

“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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