SCHEMBL12069072

SCHEMBL12069072

CC(=O)Nc1ccccc1N1CCC(n2c(=N)n(Cc3ccccc3Cl)c3ccccc32)CC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 7/20 0.50
▸ KCNQ2 O43526 2/20 0.45
▸ ALDH1A1 P00352 3/20 0.44
▸ TNF P01375 2/20 0.44
▸ KDM4E B2RXH2 3/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ TSHR P16473 2/20 0.41
▸ LMNA P02545 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ NOD2 Q9HC29 1/20 0.39
▸ NOD1 Q9Y239 1/20 0.39
▸ OPRM1 P35372 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL12067691 0.91 C5AR1 (0.47) C5AR1ALDH1A1TNFKDM4EMAPT
SCHEMBL12069839 0.91 OPRM1 (0.43) C5AR1KCNQ2ALDH1A1TNFKDM4E
SCHEMBL12067255 0.91 C5AR1 (0.49) C5AR1ALDH1A1TNFMAPTCYP3A4
SCHEMBL12069182 0.88 C5AR1 (0.45) C5AR1ALDH1A1TNFMAPTKMT2A
SCHEMBL12069057 0.88 C5AR1 (0.46) C5AR1ALDH1A1TNFKMT2ACYP3A4
SCHEMBL12069187 0.88 C5AR1 (0.44) C5AR1ALDH1A1TNFMAPTKMT2A
SCHEMBL12069193 0.84 OPRM1 (0.42) C5AR1MAPTOPRM1
SCHEMBL9982715 0.84 C5AR1 (0.42) C5AR1ALDH1A1TNFKDM4EMEN1
SCHEMBL12067697 0.83 C5AR1 (0.41) C5AR1ALDH1A1TNFMAPTLMNA
SCHEMBL12069829 0.81 C5AR1 (0.40) C5AR1ALDH1A1TNFKMT2AOPRM1

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 1212/4885KCNQ2 3423/4885ALDH1A1 320/4885

“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