SCHEMBL1472474

SCHEMBL1472474

N#CC(=C1CCNCC1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
MAPT P10636 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
TSHR P16473 2/20 0.40
MAPK1 P28482 2/20 0.40
HTR2C P28335 2/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
RECQL P46063 1/20 0.37

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
SCHEMBL3210075 0.82 NPC1 (0.50) CHRNB2CHRNA4MAPTMEN1KMT2A
SCHEMBL14867787 0.82 CHRNB2 (0.39) CHRNB2CHRNA4OPRM1OPRD1OPRK1
SCHEMBL10268122 0.82 CHRNB2 (0.38) CHRNB2CHRNA4MAPTMEN1KMT2A
SCHEMBL12829020 0.82 OPRD1 (0.43) OPRM1OPRD1MAPTHTR2CSMN1; SMN2
SCHEMBL16365106 0.82 PROKR1 (0.45) OPRM1OPRD1OPRK1MAPTMEN1
SCHEMBL586754 0.81 NPC1 (0.49) CHRNB2CHRNA4MAPTMEN1KMT2A
Benzene SCHEMBL28160719 0.81 NPC1 (0.49) CHRNB2CHRNA4MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL16321640 0.81 PROKR1 (0.44) OPRM1OPRD1OPRK1MAPTMEN1
SCHEMBL15281415 0.81 CHRNB2 (0.38) CHRNB2CHRNA4MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL27166094 0.81 OPRD1 (0.43) OPRM1OPRD1MAPTHTR2CSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230079107-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF HUMAN IMMUNODEFICIENCY VIRUS CIDARA THERAPEUTICS, INC. 2023-03-16 US disclosed
US-20230079107-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF HUMAN IMMUNODEFICIENCY VIRUS CIDARA THERAPEUTICS, INC. 2023-03-16 US disclosed
CN-114401731-A Compositions and methods for treating human immunodeficiency virus 奇达拉治疗公司 2022-04-26 CN disclosed
EP-3982993-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF HUMAN IMMUNODEFICIENCY VIRUS CIDARA THERAPEUTICS, INC. (US) 2022-04-20 EP disclosed
WO-2020252393-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF HUMAN IMMUNODEFICIENCY VIRUS CIDARA THERAPEUTICS, INC. (US) 2020-12-17 WO disclosed
WO-2020252393-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF HUMAN IMMUNODEFICIENCY VIRUS CIDARA THERAPEUTICS, INC. (US) 2020-12-17 WO disclosed
EP-2601174-B1 SUBSTITUTED INDOLE AND AZAINDOLE OXOACETYL PIPERAZINAMIDE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2014-11-26 EP disclosed
EP-1513832-B1 Indole, azaindole and related heterocyclic 4-alkenyl piperidine amides BRISTOL MYERS SQUIBB CO (US) 2014-03-05 EP disclosed
EP-1513832-B1 Indole, azaindole and related heterocyclic 4-alkenyl piperidine amides BRISTOL MYERS SQUIBB CO (US) 2014-03-05 EP disclosed
US-8450361-B2 Substituted indole and azaindole oxoacetyl piperazinamide derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2013-05-28 US disclosed
US-20070287730-A1 Alkene Piperidine Derivatives as Antiviral Agents BRISTOL-MYERS SQUIBB COMPANY 2007-12-13 US disclosed
US-20070287730-A1 Alkene Piperidine Derivatives as Antiviral Agents BRISTOL-MYERS SQUIBB COMPANY 2007-12-13 US disclosed
US-20070287730-A1 Alkene Piperidine Derivatives as Antiviral Agents BRISTOL-MYERS SQUIBB COMPANY 2007-12-13 US disclosed
EP-1751161-A1 DIAZAINDOLE-DICARBONYL-PIPERAZINYL ANTIVIRAL AGENTS Bristol-Myers Squibb Company (US) 2007-02-14 EP disclosed
WO-2005054247-A1 DIAZAINDOLE-DICARBONYL-PIPERAZINYL ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-06-16 WO disclosed
US-20050124623-A1 For example, 2-(4-Benzoyl-piperazin-1-yl)-3-(4-chloro-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3-oxo-propionitrile; useful for the treatment of HIV and AIDS SILEO, LLC 2005-06-09 US disclosed
EP-1513832-A2 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC 4-ALKENYL PIPERIDINE AMIDES Bristol-Myers Squibb Company (US) 2005-03-16 EP disclosed
US-20040186292-A1 Indole, azaindole and related heterocyclic 4-alkenyl piperidine amides VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2004-09-23 US disclosed
WO-2004043337-A2 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC 4-ALKENYL PIPERIDINE AMIDES BRISTOL-MYERS SQUIBB COMPANY (US) 2004-05-27 WO disclosed
US-20040063744-A1 Indole, azaindole and related heterocyclic 4-alkenyl piperidine amides VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2004-04-01 US 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 (5 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-20040063744-A1 Indole, azaindole and related heterocyclic 4-alkenyl piperidine amides IDO1, IDO2, INMT CHRNB2 4499/4885CHRNA4 2786/4885OPRM1 348/4885
US-20070287730-A1 Alkene Piperidine Derivatives as Antiviral Agents EIF2AK2, ITPA, MAVS CHRNB2 4824/4885CHRNA4 4682/4885OPRM1 286/4885
US-20040186292-A1 Indole, azaindole and related heterocyclic 4-alkenyl piperidine amides IDO1, IDO2, INMT CHRNB2 4499/4885CHRNA4 2786/4885OPRM1 348/4885
US-20230079107-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF HUMAN IMMUNODEFICIENCY VIRUS FCGR3B, FCGR1A, FCGR2A CHRNB2 4559/4885CHRNA4 4040/4885OPRM1 200/4885
US-20050124623-A1 For example, 2-(4-Benzoyl-piperazin-1-yl)-3-(4-chloro-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3-oxo-propionitrile; useful for the treatment of HIV and AIDS CD4, CCR5, PAICS CHRNB2 4084/4885CHRNA4 3517/4885OPRM1 968/4885

“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.