SCHEMBL1681984

SCHEMBL1681984

COC1(CC(=O)c2ccccc2)CCN(Cc2ccc(NC(C)=O)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
NPC1 O15118 2/20 0.55
OPRM1 P35372 1/20 0.54
OPRD1 P41143 1/20 0.54
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 2/20 0.53
CCR5 P51681 2/20 0.49
HSD17B10 Q99714 2/20 0.48
TSHR P16473 1/20 0.48
MAPT P10636 1/20 0.47
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.46
RAB9A P51151 1/20 0.46
GAA P10253 1/20 0.45
FAAH O00519 1/20 0.45

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
Hydrochloric Acid SCHEMBL1809984 0.99 KMT2A (0.54) KMT2AMEN1NPC1OPRM1OPRD1
SCHEMBL1681966 0.86 NPC1 (0.58) KMT2AMEN1NPC1OPRM1OPRD1
Hydrochloric Acid SCHEMBL1681887 0.85 MEN1 (0.57) KMT2AMEN1NPC1OPRM1OPRD1
SCHEMBL20493322 0.84 OPRM1 (0.68) KMT2AMEN1NPC1OPRM1OPRD1
SCHEMBL8132361 0.81 MEN1 (0.55) KMT2AMEN1NPC1OPRM1OPRD1
Hydrochloric Acid SCHEMBL4821168 0.77 ALDH1A1 (0.59) KMT2AMEN1NPC1ALDH1A1KDM4E
SCHEMBL4818137 0.75 ALDH1A1 (0.70) KMT2AMEN1NPC1ALDH1A1KDM4E
SCHEMBL20493287 0.74 OPRM1 (0.59) KMT2AMEN1NPC1OPRM1OPRD1
Hydrochloric Acid SCHEMBL4471670 0.74 ALDH1A1 (0.68) KMT2AMEN1NPC1ALDH1A1KDM4E
SCHEMBL20493349 0.74 OPRM1 (0.66) KMT2AMEN1NPC1OPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8501778-B2 Aralkyl piperidine derivatives and their uses as antalgic or ataractic agent NHWA PHARMA. CORPORATION (CN) 2013-08-06 US claimed
EP-2305645-B1 ARALKYL PIPERIDINE DERIVATIVES AND THEIR USES AS ANTALGIC OR ATARACTIC AGENT NHWA PHARMA CORP (CN) 2012-05-16 EP claimed
US-20110105503-A1 ARALKYL PIPERIDINE DERIVATIVES AND THEIR USES AS ANTALGIC OR ATARACTIC AGENT NHWA PHARMA. CORPORATION (CN) 2011-05-05 US claimed
EP-2305645-A1 ARALKYL PIPERIDINE DERIVATIVES AND THEIR USES AS ANTALGIC OR ATARACTIC AGENT NHWA Pharma.corporation (CN) 2011-04-06 EP claimed
US-8501778-B2 Aralkyl piperidine derivatives and their uses as antalgic or ataractic agent NHWA PHARMA. CORPORATION (CN) 2013-08-06 US disclosed
EP-2305645-B1 ARALKYL PIPERIDINE DERIVATIVES AND THEIR USES AS ANTALGIC OR ATARACTIC AGENT NHWA PHARMA CORP (CN) 2012-05-16 EP disclosed
US-20110105503-A1 ARALKYL PIPERIDINE DERIVATIVES AND THEIR USES AS ANTALGIC OR ATARACTIC AGENT NHWA PHARMA. CORPORATION (CN) 2011-05-05 US disclosed
EP-2305645-A1 ARALKYL PIPERIDINE DERIVATIVES AND THEIR USES AS ANTALGIC OR ATARACTIC AGENT NHWA Pharma.corporation (CN) 2011-04-06 EP 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-20110105503-A1 ARALKYL PIPERIDINE DERIVATIVES AND THEIR USES AS ANTALGIC OR ATARACTIC AGENT ADK, AAK1, ATAD5 KMT2A 1246/4885MEN1 4294/4885NPC1 3505/4885

“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.