SCHEMBL3780879

SCHEMBL3780879

C=CCN1CCCCC1C(=O)Nc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.48
HPGD P15428 1/20 0.48
LMNA P02545 2/20 0.47
KCNK3 O14649 1/20 0.47
POLB P06746 1/20 0.47
ALDH1A1 P00352 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
KCNH2 Q12809 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
CNR2 P34972 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 1/20 0.43
YAP1 P46937 1/20 0.42
TEAD4 Q15561 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL3418823 0.82 KCNK3 (0.70) HTTLMNAKCNK3POLBALDH1A1
SCHEMBL5531122 0.76 SMN1; SMN2 (0.43) HTTALDH1A1CYP2C19
SCHEMBL20634019 0.75 HPGD (0.55) HTTHPGDLMNAPOLBALDH1A1
SCHEMBL11270164 0.75 HPGD (0.55) HTTHPGDLMNAPOLBALDH1A1
SCHEMBL4742813 0.75 ALDH1A1 (0.60) HTTHPGDPOLBALDH1A1CYP2C9
Hydrochloric Acid SCHEMBL28148044 0.75 CYP3A4 (0.51) HTTLMNAKCNK3POLBALDH1A1
Hydrochloric Acid SCHEMBL28148043 0.75 CYP3A4 (0.51) HTTLMNAKCNK3POLBALDH1A1
SCHEMBL5898651 0.74 SMN1; SMN2 (0.42) HTTALDH1A1CYP2C19
SCHEMBL28148077 0.74 KCNK3 (0.42) HTTLMNAKCNK3POLBCYP3A4
SCHEMBL10396678 0.73 MEN1 (0.41) ALDH1A1KMT2ACYP2C9CYP2C19GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010084516-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE N-ALKYL-PIPERIDINE-2-CARBOXANILIDE JUBILANT ORGANOSYS LIMITED (IN) 2010-07-29 WO claimed
CN-102093284-B Method for enriching piperidine-2-formanilide optically active compound YICHANG HUMANWELL PHARMACEUTICAL CO LTD 2013-05-08 CN disclosed
CN-102093284-A Method for enriching piperidine-2-formanilide optically active compound YICHANG HUMANWELL PHARMACEUTICAL CO LTD 2011-06-15 CN disclosed
WO-2010084516-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE N-ALKYL-PIPERIDINE-2-CARBOXANILIDE JUBILANT ORGANOSYS LIMITED (IN) 2010-07-29 WO disclosed
CN-1172912-C Racemisation process for use in manufacture of levobupivacaine and related piperidinecarboxanilide anaesthetic agents ������������� 2004-10-27 CN disclosed
EP-0804417-B1 RACEMISATION PROCESS FOR USE IN THE MANUFACTURE OF LEVOBUPIVACAINE AND RELATED PIPERIDINECARBOXANILIDE ANAESTHETIC AGENTS DARWIN DISCOVERY LTD (GB) 2003-06-04 EP disclosed
US-6384227-B2 HEATING THE COMPOUND IN AN AQUEOUS MEDIUM WHICH INCLUDES AN ORGANIC COSOLVENT, AND RECOVERING THE PRODUCT THAT IS PRECIPITATED, ON COOLING DARWIN DISCOVERY LTD. (GB) 2002-05-07 US disclosed
US-20010000522-A1 Racemisation process for use in the manufacture of levobupivacaine and related piperidinecarboxanilide anaesthetic agents DYER ULRICH CONRAD (GB) 2001-04-26 US disclosed
CN-1168134-A Racemization process for the production of levobupivacaine and related piperidinecarboxanilide anaesthetics CHIROSCIENCE LTD (GB) 1997-12-17 CN disclosed
EP-0804417-A1 RACEMISATION PROCESS FOR USE IN THE MANUFACTURE OF LEVOBUPIVACAINE AND RELATED PIPERIDINECARBOXANILIDE ANAESTHETIC AGENTS Chiroscience Limited (GB) 1997-11-05 EP disclosed
WO-1996022281-A1 RACEMISATION PROCESS FOR USE IN THE MANUFACTURE OF LEVOBUPIVACAINE AND RELATED PIPERIDINECARBOXANILIDE ANAESTHETIC AGENTS CHIROSCIENCE LIMITED (GB) 1996-07-25 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-20010000522-A1 Racemisation process for use in the manufacture of levobupivacaine and related piperidinecarboxanilide anaesthetic agents OPRM1, OPRD1, CYP2C9 HTT 2526/4885HPGD 1245/4885LMNA 2952/4885

“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.