SCHEMBL9982723

SCHEMBL9982723

N=c1n(Cc2ccccc2Cl)c2ccccc2n1C1CCN(c2cc(Cl)ccc2N)CC1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 9/20 0.51
▸ OPRM1 P35372 5/20 0.43
▸ TSHR P16473 1/20 0.42
▸ CHRM1 P11229 1/20 0.40
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TDP1 Q9NUW8 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
SCHEMBL9983006 0.85 C5AR1 (0.49) C5AR1OPRM1TSHRCHRM1CYP3A4
SCHEMBL9982680 0.84 C5AR1 (0.49) C5AR1OPRM1TSHRCHRM1CYP3A4
SCHEMBL12067691 0.84 C5AR1 (0.47) C5AR1OPRM1TSHRCHRM1CYP3A4
SCHEMBL12069072 0.77 C5AR1 (0.50) C5AR1OPRM1TSHRCYP3A4CYP2D6
SCHEMBL9982630 0.77 C5AR1 (0.56) C5AR1OPRM1TSHRCHRM1ALDH1A1
SCHEMBL9982715 0.76 C5AR1 (0.42) C5AR1OPRM1CHRM1ALDH1A1MAPT
SCHEMBL12067255 0.76 C5AR1 (0.49) C5AR1OPRM1TSHRCHRM1CYP3A4
SCHEMBL9982917 0.75 TSHR (0.51) C5AR1OPRM1TSHRCHRM1CYP3A4
SCHEMBL9983080 0.74 C5AR1 (0.43) C5AR1OPRM1TSHRALDH1A1SMN1; SMN2
SCHEMBL12069182 0.74 C5AR1 (0.45) C5AR1OPRM1CYP3A4CYP2D6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2582681-A1 PIPERIDINYL SUBSTITUTED 1,3-DIHYDRO-BENZOIMIDAZOL-2-YLIDENEAMINE DERIVATIVES Novartis AG (CH) 2013-04-24 — — EP 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
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
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 956/4885TSHR 119/4885

“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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