SCHEMBL13392153

SCHEMBL13392153

CON=C(c1cc(Cl)ccc1N)C1CCN(C(=O)C2CCN(Cc3cnc(N)nc3)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ TSHR P16473 2/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ ADRB2 P07550 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ MCHR1 Q99705 1/20 0.39
▸ F10 P00742 1/20 0.39
▸ CCR2 P41597 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
SCHEMBL14188262 1.00 KMT2A (0.42) KMT2AMEN1TSHRALOX15MAPK1
SCHEMBL14188192 0.91 MEN1 (0.42) KMT2AMEN1TSHRALOX15MAPK1
SCHEMBL13392124 0.91 MEN1 (0.42) KMT2AMEN1TSHRALOX15MAPK1
SCHEMBL13391063 0.89 CYP3A4 (0.49) CYP3A4
SCHEMBL13391020 0.88 ALDH1A1 (0.44) KMT2AMEN1TSHRSMN1; SMN2ADRB2
SCHEMBL13392094 0.87 KMT2A (0.47) KMT2AMEN1TSHRSMN1; SMN2KDM4E
SCHEMBL14188216 0.87 KMT2A (0.47) KMT2AMEN1TSHRSMN1; SMN2KDM4E
SCHEMBL14078589 0.87 ADRB2 (0.44) KMT2AMEN1TSHRALOX15MAPK1
SCHEMBL13392088 0.87 ADRB2 (0.44) KMT2AMEN1TSHRALOX15MAPK1
SCHEMBL13409697 0.84 MEN1 (0.46) KMT2AMEN1TSHRALOX15MAPK1

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-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 (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-20100093692-A1 PIPERIDINYL-PIPERIDINE AND PIPERAZINYL-PIPERIDINE FOR USE IN THE TREATMENT OF DIABETES OR PAIN GPR119, ATF4, GID4 KMT2A 3430/4885MEN1 4556/4885TSHR 2742/4885

“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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