SCHEMBL12067697

SCHEMBL12067697

CC(=O)Nc1ccc(C)cc1N1CCC(n2c(=N)n(Cc3ccccc3Cl)c3ccc(F)cc32)CC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 4/20 0.41
▸ OPRM1 P35372 3/20 0.41
▸ P2RX7 Q99572 2/20 0.37
▸ MAPT P10636 3/20 0.36
▸ TP53 P04637 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ TNF P01375 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ EGLN3 Q9H6Z9 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
SCHEMBL9982715 0.93 C5AR1 (0.42) C5AR1OPRM1P2RX7MAPTLMNA
SCHEMBL12069839 0.92 OPRM1 (0.43) C5AR1OPRM1P2RX7MAPTLMNA
SCHEMBL12067255 0.92 C5AR1 (0.49) C5AR1OPRM1MAPTTP53LMNA
SCHEMBL12069829 0.90 C5AR1 (0.40) C5AR1OPRM1P2RX7ALDH1A1TNF
SCHEMBL9982661 0.87 C5AR1 (0.41) C5AR1OPRM1P2RX7MAPTTNF
SCHEMBL9982494 0.86 OPRM1 (0.40) C5AR1OPRM1ALDH1A1TNF
SCHEMBL12069824 0.86 HTR1A (0.35) C5AR1OPRM1P2RX7MAPTTP53
SCHEMBL12067691 0.85 C5AR1 (0.47) C5AR1OPRM1MAPTTP53LMNA
SCHEMBL12069057 0.83 C5AR1 (0.46) C5AR1ALDH1A1TNF
SCHEMBL12069072 0.83 C5AR1 (0.50) C5AR1OPRM1MAPTLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130085161-A1 PIPERIDINYL SUBSTITUTED 1,3-DIHYDRO-BENZOIMIDAZOL-2-YLIDENEAMINE DERIVATIVES NOVARTIS AG (CH) 2013-04-04 — — US disclosed
US-20130085161-A1 PIPERIDINYL SUBSTITUTED 1,3-DIHYDRO-BENZOIMIDAZOL-2-YLIDENEAMINE DERIVATIVES NOVARTIS AG (CH) 2013-04-04 — — US disclosed
US-20130085161-A1 PIPERIDINYL SUBSTITUTED 1,3-DIHYDRO-BENZOIMIDAZOL-2-YLIDENEAMINE DERIVATIVES NOVARTIS AG (CH) 2013-04-04 — — US disclosed
WO-2011157793-A1 PIPERIDINYL SUBSTITUTED 1,3-DIHYDRO-BENZOIMIDAZOL-2-YLIDENEAMINE DERIVATIVES NOVARTIS AG (CH) 2011-12-22 — — WO 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-20130085161-A1 PIPERIDINYL SUBSTITUTED 1,3-DIHYDRO-BENZOIMIDAZOL-2-YLIDENEAMINE DERIVATIVES IGF1R, IGFBP1, IGFBP2 C5AR1 1212/4885OPRM1 956/4885P2RX7 1245/4885

“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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