Sugi Predict

Sugi Predict / Compounds / SCHEMBL2392338

SCHEMBL2392338

SCHEMBL2392338

Brc1ccc(C2=CCN(Cc3ccccc3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 7/20 0.56
▸ HDAC4 P56524 1/20 0.55
▸ NAMPT P43490 1/20 0.55
▸ SIGMAR1 Q99720 2/20 0.54
▸ DRD2 P14416 7/20 0.53
▸ DRD3 P35462 5/20 0.53
▸ HTR1A P08908 2/20 0.53
▸ HTR2A P28223 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ MAPK1 P28482 1/20 0.51
▸ PARP1 P09874 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ OPRM1 P35372 1/20 0.48
▸ OPRK1 P41145 1/20 0.48

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
SCHEMBL6585625 0.89 DRD4 (0.63) DRD4HDAC4NAMPTSIGMAR1DRD2
SCHEMBL2395932 0.89 DRD4 (0.67) DRD4HDAC4NAMPTSIGMAR1DRD2
SCHEMBL2395803 0.86 LMNA (0.60) DRD4HDAC4NAMPTSIGMAR1DRD2
SCHEMBL10287534 0.86 SIGMAR1 (0.71) DRD4HDAC4NAMPTSIGMAR1DRD2
SCHEMBL6041687 0.86 DRD4 (0.54) DRD4HDAC4NAMPTSIGMAR1DRD2
SCHEMBL29188191 0.85 DRD4 (0.67) DRD4HDAC4NAMPTSIGMAR1DRD2
SCHEMBL13490525 0.85 DRD4 (0.48) DRD4HDAC4NAMPTSIGMAR1DRD2
SCHEMBL2395917 0.85 MAPK1 (0.69) DRD4HDAC4NAMPTSIGMAR1DRD2
SCHEMBL13959654 0.85 DRD4 (0.56) DRD4HDAC4NAMPTSIGMAR1DRD2
SCHEMBL2582694 0.85 HDAC4 (0.58) DRD4HDAC4NAMPTSIGMAR1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104507940-B Heterocyclic compounds 武田药品工业株式会社 2017-01-25 — — CN disclosed
US-20160251352-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2016-09-01 — — US disclosed
US-9371320-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-21 — — US disclosed
US-20150141406-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-21 — — US disclosed
EP-2857400-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-04-08 — — EP disclosed
CN-104507940-A Heterocyclic compounds TAKEDA PHARMACEUTICAL 2015-04-08 — — CN disclosed
US-8013157-B2 Synthesis of unsaturated piperidines from piperidones with a silyl reagent JANSSEN PHARMACEUTICA NV (BE) 2011-09-06 — — US disclosed
US-8013157-B2 Synthesis of unsaturated piperidines from piperidones with a silyl reagent JANSSEN PHARMACEUTICA NV (BE) 2011-09-06 — — US disclosed
US-8013157-B2 Synthesis of unsaturated piperidines from piperidones with a silyl reagent JANSSEN PHARMACEUTICA NV (BE) 2011-09-06 — — US disclosed
US-20100324292-A1 SYNTHESIS OF UNSATURATED PIPERIDINES FROM PIPERIDONES WITH A SILYL REAGENT NEELAKANDHA MANI S 2010-12-23 — — US disclosed
WO-2004063171-A1 N- (1-BENZYL-2-OXO-2- (1-PIPERAZINYL) ETHYL) -1-PIPERIDINCARBOXAMID-DERIVATIVES AND RELATED COMPOUNDS USE AS CGRP-ANTAGONISTS FOR TREATING A HEADACHE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-07-29 — — WO disclosed
US-20040092737-A1 Benzopiperidine derivatives EISAI CO., LTD. 2004-05-13 — — US disclosed
EP-0863875-B1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY HOFFMANN LA ROCHE (CH) 2003-06-04 — — EP disclosed
US-6518423-B1 These compounds are useful as drugs efficacious in the prevention and treatment of these various inflammatory diseases and immunologic diseases, such as rheumatoid arthritis, atopic dermatitis, psoriasis, asthma, and EISAI CO., LTD. (JP) 2003-02-11 — — US disclosed
WO-2002076440-A2 METHODS OF TREATING ALZHEIMER'S DISEASE WITH PIPERIDIN DERIVATES ELAN PHARMACEUTICALS, INC. (US) 2002-10-03 — — WO disclosed
US-6150526-A Piperidine derivative having renin inhibiting activity HOFFMANN-LA ROCHE INC. (US) 2000-11-21 — — US disclosed
US-6051712-A PREVENTION OF HIGH BLOOD PRESSURE AND CARDIAC INSUFFICIENCY, AS WELL AS GLAUCOMA, CARDIAC INFARCT, KIDNEY INSUFFICIENCY AND RESTENOSIS HOFFMANN-LA ROCHE INC. (US) 2000-04-18 — — US disclosed
EP-0934941-A1 BENZOPIPERIDINE DERIVATIVES Eisai Co., Ltd. (JP) 1999-08-11 — — EP disclosed
EP-0863875-A1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY F. HOFFMANN-LA ROCHE AG (CH) 1998-09-16 — — EP disclosed
WO-1997009311-A1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY F. HOFFMANN-LA ROCHE AG (CH) 1997-03-13 — — 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 (4 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-20040092737-A1 Benzopiperidine derivatives HLA-DRB1, HRH1, HRH2 DRD4 439/4885HDAC4 1278/4885NAMPT 3813/4885
US-20160251352-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 DRD4 4802/4885HDAC4 94/4885NAMPT 579/4885
US-20100324292-A1 SYNTHESIS OF UNSATURATED PIPERIDINES FROM PIPERIDONES WITH A SILYL REAGENT THPO, DHPS, PIR DRD4 107/4885HDAC4 205/4885NAMPT 1792/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 DRD4 4802/4885HDAC4 94/4885NAMPT 579/4885

“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.