SCHEMBL3413013

SCHEMBL3413013

Ic1ccc(N2CCNCC2)nc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLD1 Q13393 1/20 0.53
BPTF Q12830 2/20 0.47
GPR119 Q8TDV5 1/20 0.46
HTR2C P28335 3/20 0.45
ALDH1A1 P00352 3/20 0.45
HTR3E A5X5Y0 3/20 0.45
HTR3B O95264 3/20 0.45
HTR3A P46098 3/20 0.45
HTR3D Q70Z44 3/20 0.45
HTR3C Q8WXA8 3/20 0.45
KDM4E B2RXH2 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
HTR1A P08908 2/20 0.45
HSD17B10 Q99714 2/20 0.45
ADRB1 P08588 2/20 0.45
USP2 O75604 1/20 0.45
MAPK1 P28482 1/20 0.45
SLC6A4 P31645 1/20 0.45
HTR7 P34969 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
SCHEMBL1432869 0.82 MAPT (0.51) ALDH1A1CYP1A2
SCHEMBL1432610 0.81 MAPT (0.53) ALDH1A1KDM4ECYP1A2HSD17B10HPGD
SCHEMBL6353323 0.78 PLD1 (0.53) PLD1BPTFGPR119HTR2CALDH1A1
SCHEMBL194226 0.78 HTR3A (0.57) PLD1BPTFGPR119HTR2CALDH1A1
SCHEMBL529383 0.78 PLD1 (0.53) PLD1BPTFGPR119HTR2CALDH1A1
SCHEMBL23458791 0.78 PLD1 (0.53) PLD1BPTFGPR119HTR2CALDH1A1
SCHEMBL25257007 0.78 PLD1 (0.53) PLD1BPTFGPR119HTR2CALDH1A1
SCHEMBL578623 0.78 PLD1 (0.53) PLD1BPTFGPR119HTR2CALDH1A1
SCHEMBL18307181 0.78 CNR2 (0.49) ALDH1A1KDM4ECYP1A2HSD17B10HTT
SCHEMBL12812546 0.78 PLD1 (0.53) PLD1BPTFGPR119HTR2CALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023154282-A1 COMPOUNDS HAVING A T-STRUCTURE FORMED BY AT LEAST FOUR CYCLES FOR USE IN THE TREATMENT OF CANCER AND OTHER INDICATIONS THERAS, INC. (US) 2023-08-17 WO disclosed
US-20230027055-A1 HIV INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2023-01-26 US disclosed
EP-3909949-A1 ATAZANAVIR (ATV) ANALOGUES FOR TREATING HIV INFECTIONS Gilead Sciences, Inc. (US) 2021-11-17 EP disclosed
US-11078208-B1 HIV inhibitor compounds GILEAD SCIENCES, INC. (US) 2021-08-03 US disclosed
EP-3577110-B1 8-OXETAN-3-YL-3,8-DIAZABICYCLO[3.2.1]OCTAN-3-YL SUBSTITUTED COMPOUNDS AS HIV INHIBITORS GILEAD SCIENCES INC (US) 2021-04-21 EP disclosed
US-10752636-B2 HIV inhibitor compounds GILEAD SCIENCES, INC. (US) 2020-08-25 US disclosed
US-20190308983-A1 HIV INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2019-10-10 US disclosed
US-10294234-B2 HIV inhibitor compounds GILEAD SCIENCES, INC. (US) 2019-05-21 US disclosed
WO-2018145021-A1 ATAZANAVIR (ATV) ANALOGUES FOR TREATING HIV INFECTIONS GILEAD SCIENCES, INC. (US) 2018-08-09 WO disclosed
US-20170333437-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS INSTITUTE FOR FUNCTIONAL GENOMICS, INC., DBA GENOMICS INSTITUTE OF THE NOVARTIS RESEARCH FOUNDATION 2017-11-23 US disclosed
US-20090175794-A1 INHIBITORS OF CARBONIC ANHYDRASE IX MOLECULAR INSIGHT PHARMACEUTICALS, INC. 2009-07-09 US disclosed
US-20080182851-A1 ACETYLENE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2008-07-31 US disclosed
WO-2008062276-A2 ACETYLENE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (US) 2008-05-29 WO disclosed
US-7153857-B2 Arylpiperazines and arylpiperidines and their use as metalloproteinase inhibiting agents ASTRAZENECA AB (SE) 2006-12-26 US disclosed
US-20060229313-A1 Arylpiperazines and arylpiperidines and their use as metalloproteinase inhibiting agents ASTRAZENECA AB (SE) 2006-10-12 US disclosed
US-20040220185-A1 Arylpiperazines and arylpiperidines and their use as metalloproteinase inhibiting agents ASTRAZENECA AB (SE) 2004-11-04 US disclosed
EP-1417201-A1 ARYLPIPERAZINES AND ARYLPIPERIDINES AND THEIR USE AS METALLOPROTEINASE INHIBITING AGENTS AstraZeneca AB (SE) 2004-05-12 EP disclosed
WO-2003014111-A1 ARYLPIPERAZINES AND ARYLPIPERIDINES AND THEIR USE AS METALLOPROTEINASE INHIBITING AGENTS ASTRAZENECA AB (SE) 2003-02-20 WO disclosed
US-5976497-A 3-(4-(2-PYRIDINYL))PIPERAZINYLMETHYL)PYRROLO(2.3-B)PYRIDINE AND DERIVATIVES RESOLUTION PHARMACEUTICALS, INC. (CA) 1999-11-02 US disclosed
WO-1999000386-A1 DOPAMINE D4 RECEPTOR LIGANDS RESOLUTION PHARMACEUTICALS INC. (CA) 1999-01-07 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 (10 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-20230027055-A1 HIV INHIBITOR COMPOUNDS NFATC1, SAMHD1, CCR5 PLD1 4374/4885BPTF 329/4885GPR119 2624/4885
US-20060229313-A1 Arylpiperazines and arylpiperidines and their use as metalloproteinase inhibiting agents MMP13, MMP3, MMP2 PLD1 600/4885BPTF 2642/4885GPR119 776/4885
US-20080182851-A1 ACETYLENE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS SCD, SCD5, ACACA PLD1 956/4885BPTF 1191/4885GPR119 457/4885
US-11078208-B1 HIV inhibitor compounds NFATC1, SAMHD1, CCR5 PLD1 4374/4885BPTF 329/4885GPR119 2624/4885
US-10752636-B2 HIV inhibitor compounds NFATC1, SAMHD1, CCR5 PLD1 4374/4885BPTF 329/4885GPR119 2624/4885
US-20090175794-A1 INHIBITORS OF CARBONIC ANHYDRASE IX CA9, CA12, CA1 PLD1 4756/4885BPTF 3991/4885GPR119 1724/4885
US-20040220185-A1 Arylpiperazines and arylpiperidines and their use as metalloproteinase inhibiting agents MMP13, MMP3, MMP2 PLD1 427/4885BPTF 2616/4885GPR119 1049/4885
US-20190308983-A1 HIV INHIBITOR COMPOUNDS HASPIN, NFATC1, NHERF1 PLD1 4666/4885BPTF 273/4885GPR119 2006/4885
US-20170333437-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES TYR, TBCA, MAPT PLD1 3735/4885BPTF 1703/4885GPR119 809/4885
US-10294234-B2 HIV inhibitor compounds NFATC1, SAMHD1, CCR5 PLD1 4374/4885BPTF 329/4885GPR119 2624/4885

“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.