SCHEMBL73610

SCHEMBL73610

c1ccc(NN2CCCCC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.53
ALDH1A1 P00352 6/20 0.47
CYP1A2 P05177 4/20 0.47
CYP2C19 P33261 3/20 0.47
HTT P42858 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GLA P06280 1/20 0.47
NPSR1 Q6W5P4 1/20 0.43
LMNA P02545 3/20 0.42
GAA P10253 1/20 0.42
POLB P06746 3/20 0.41
NPC1 O15118 2/20 0.41
KDM4E B2RXH2 2/20 0.41
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
KCNA5 P22460 2/20 0.40
KCNH2 Q12809 2/20 0.40
KCNE1 P15382 1/20 0.40

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
SCHEMBL17911056 1.00 KDM1A (0.53) KDM1AALDH1A1CYP1A2CYP2C19HTT
SCHEMBL7627201 1.00 KDM1A (0.53) KDM1AALDH1A1CYP1A2CYP2C19HTT
SCHEMBL1752645 0.98 KDM1A (0.50) KDM1AALDH1A1CYP1A2CYP2C19HTT
Hydrochloric Acid SCHEMBL19996083 0.95 KDM1A (0.48) KDM1AALDH1A1CYP1A2CYP2C19HTT
SCHEMBL1829575 0.93 KDM1A (0.46) KDM1AALDH1A1CYP1A2CYP2C19HTT
SCHEMBL4055295 0.87 ALDH1A1 (0.43) KDM1AALDH1A1CYP1A2CYP2C19MEN1
SCHEMBL3544482 0.84 POLB (0.44) KDM1AALDH1A1CYP1A2CYP2C19HTT
SCHEMBL7597635 0.81 L3MBTL1 (0.54) ALDH1A1CYP2C19LMNAGAAKDM4E
SCHEMBL6626303 0.80 POLB (0.44) KDM1AALDH1A1CYP2C19MEN1KMT2A
SCHEMBL644787 0.77 POLB (0.49) ALDH1A1CYP1A2MEN1KMT2APOLB

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 356 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114262320-A Synthesis method for preparing anilinopiperidine drugs by using continuous flow microchannel reactor 宜昌人福药业有限责任公司 2022-04-01 CN claimed
US-20160271248-A1 CXCR4 UP- AND DOWN-REGULATION FOR TREATMENT OF DISEASES OR DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-09-22 US claimed
WO-2016115013-A1 CINNOLINE DERIVATIVES USEFUL AS CB-1 RECEPTOR INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2016-07-21 WO claimed
WO-2015051279-A2 CXCR4 UP- AND DOWN-REGULATION FOR TREATMENT OF DISEASES OR DISORDERS DREXEL UNIVERSITY (US) 2015-04-09 WO claimed
EP-2318363-A1 HETEROCYCLIC DERIVATIVES AS IAP BINDING COMPOUNDS Nuevolution A/S (DK) 2011-05-11 EP claimed
US-20100144591-A1 BENZIMIDAZOLE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION 2010-06-10 US claimed
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 claimed
CN-101674831-A Piperidinylpiperidine and piperazinylpiperidine for the treatment of diabetes or pain SCHERING CORP 2010-03-17 CN claimed
EP-2136805-A2 PIPERIDINYL-PIPERIDINE AND PIPERAZINYL-PIPERIDINE FOR USE IN THE TREATMENT OF DIABETES OR PAIN SCHERING CORPORATION (US) 2009-12-30 EP claimed
WO-2009152824-A1 HETEROCYCLIC DERIVATIVES AS IAP BINDING COMPOUNDS NUEVOLUTION A/S (DK) 2009-12-23 WO claimed
EP-2114402-A2 BENZIMIDAZOLE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2009-11-11 EP claimed
WO-2008108957-A2 PIPERIDINYL-PIPERIDINE AND PIPERAZINYL-PIPERIDINE FOR USE IN THE TREATMENT OF DIABETES OR PAIN SCHERING CORPORATION (US) 2008-09-12 WO claimed
WO-2008108958-A2 BENZIMIDAZOLE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2008-09-12 WO claimed
US-5260318-A Phenylpiperidylamines and drugs containing them BASF AKTIENGESELLSCHAFT (DE) 1993-11-09 US claimed
EP-0523125-A1 NOVEL PIPERIDIN-4-SPIRO-OXIRANES THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN (GB) 1993-01-20 EP claimed
US-5175174-A PHENYLPIPERIDINYLAMINES AND DRUGS CONTAINING THESE BASF AKTIENGESELLSCHAFT (DE) 1992-12-29 US claimed
WO-1991015492-A1 NOVEL PIPERIDIN-4-SPIRO-OXIRANES THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 1991-10-17 WO claimed
US-4831192-A Methods of preparing 4-heteropentacyclic-4-(N-phenyl)amido) piperidine derivatives and intermediate compounds BOC, INC. (US) 1989-05-16 US claimed
JP-1301676-A None JP disclosed
EP-0095722-B1 COLOR PHOTOGRAPHIC MATERIALS KONICA CORPORATION (JP) 1987-12-09 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 (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 KDM1A 3192/4885ALDH1A1 564/4885CYP1A2 2201/4885
US-20100144591-A1 BENZIMIDAZOLE DERIVATIVES AND METHODS OF USE THEREOF GPR119, GK, GCK KDM1A 3122/4885ALDH1A1 612/4885CYP1A2 1007/4885

“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.