SCHEMBL8416756

SCHEMBL8416756

N=C(Cc1ccc(Cl)cc1)C1CCN(C(=O)C2CCN(Cc3cnc(N)nc3)CC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.51
▸ HTT P42858 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ MEN1 O00255 2/20 0.47
▸ TSHR P16473 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ TP53 P04637 2/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ SIGMAR1 Q99720 1/20 0.43

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
SCHEMBL13409046 0.88 ALDH1A1 (0.48) ALDH1A1HTTKDM4EMAPTNPSR1
SCHEMBL13409675 0.84 ALDH1A1 (0.46) ALDH1A1HTTKDM4EMAPTNPSR1
SCHEMBL13409699 0.84 CYP3A4 (0.53) CYP3A4
SCHEMBL13392145 0.84 ALDH1A1 (0.46) ALDH1A1HTTKDM4EMAPTNPSR1
SCHEMBL14188147 0.84 ALDH1A1 (0.46) ALDH1A1HTTKDM4EMAPTNPSR1
SCHEMBL13409690 0.82 MEN1 (0.46) ALDH1A1HTTKDM4EMAPTNPSR1
SCHEMBL13409697 0.82 MEN1 (0.46) ALDH1A1HTTKDM4EMAPTNPSR1
SCHEMBL14188251 0.82 ALDH1A1 (0.47) ALDH1A1HTTKDM4EMAPTNPSR1
SCHEMBL13392009 0.82 ALDH1A1 (0.47) ALDH1A1HTTKDM4EMAPTNPSR1
SCHEMBL13409646 0.81 ADRB2 (0.48) ALDH1A1HTTKDM4EMAPTNPSR1

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 2 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-20070142369-A1 Combination of an H3 antagonist/inverse agonist and an appetite suppressant SCHERING CORPORATION 2007-06-21 — — 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-20070142369-A1 Combination of an H3 antagonist/inverse agonist and an appetite suppressant CNR2, GPR119, GLP1R ALDH1A1 3184/4885HTT 267/4885KDM4E 199/4885
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

“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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