SCHEMBL13409046

SCHEMBL13409046

N=C(c1ccc(Cl)cc1)C1CCN(C(=O)C2CCN(Cc3cnc(N)nc3)CC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.48
▸ HTT P42858 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ DRD2 P14416 1/20 0.47
▸ DRD4 P21917 1/20 0.47
▸ DRD3 P35462 1/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ TSHR P16473 2/20 0.47
▸ ADRB2 P07550 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ ALOX15 P16050 1/20 0.44

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
SCHEMBL13409986 0.90 CYP3A4 (0.46) KDM4EKMT2AMEN1TSHRCYP3A4
SCHEMBL13409985 0.90 L3MBTL1 (0.51) ALDH1A1NPSR1KMT2AMEN1TSHR
SCHEMBL13409646 0.90 ADRB2 (0.48) ALDH1A1HTTKDM4EMAPTNPSR1
SCHEMBL13409979 0.89 KMT2A (0.55) ALDH1A1HTTKDM4EMAPTNPSR1
SCHEMBL13409748 0.88 CYP3A4 (0.46) KMT2AMEN1TSHRCYP3A4CYP2D6
SCHEMBL13409675 0.88 ALDH1A1 (0.46) ALDH1A1HTTKDM4EMAPTNPSR1
SCHEMBL13409111 0.88 KMT2A (0.51) ALDH1A1HTTKMT2AMEN1TSHR
SCHEMBL8416756 0.88 ALDH1A1 (0.51) ALDH1A1HTTKDM4EMAPTNPSR1
SCHEMBL13409686 0.87 PRKAB2 (0.45) MAPTKMT2AMEN1TSHRADRB2
SCHEMBL14387701 0.87 KDM4E (0.48) ALDH1A1KDM4ENPSR1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100093692-A1 PIPERIDINYL-PIPERIDINE AND PIPERAZINYL-PIPERIDINE FOR USE IN THE TREATMENT OF DIABETES OR PAIN SCHERING CORPORATION SECHERING-PLOUGH CORPORATION (US) 2010-04-15 — — US disclosed
US-20080119487-A1 NOVEL NON-IMIDAZOLE COMPOUNDS SCHERING CORPORATION 2008-05-22 — — US disclosed
US-7300941-B2 Non-imidazole compounds SCHERING CORPORATION (US) 2007-11-27 — — 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 (2 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-20100093692-A1 PIPERIDINYL-PIPERIDINE AND PIPERAZINYL-PIPERIDINE FOR USE IN THE TREATMENT OF DIABETES OR PAIN GPR119, ATF4, GID4 ALDH1A1 564/4885HTT 2269/4885KDM4E 2918/4885
US-20080119487-A1 NOVEL NON-IMIDAZOLE COMPOUNDS HRH2, HRH1, HRH4 ALDH1A1 522/4885HTT 4631/4885KDM4E 4591/4885

“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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