SCHEMBL3113641

SCHEMBL3113641

O=[C]C1NCc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
CYP2D6 P10635 3/20 0.38
CYP3A4 P08684 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
DRD1 P21728 4/20 0.36
DRD2 P14416 3/20 0.36
DRD4 P21917 3/20 0.36
TP53 P04637 2/20 0.36
CYP1A2 P05177 2/20 0.36
MAPK1 P28482 2/20 0.36
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36

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
SCHEMBL95058 0.81 PRCP (0.53) ALDH1A1MAPTKDM4ETSHRPRCP
SCHEMBL20577212 0.80 CYP2D6 (0.38) CHRNB2CHRNA4CYP2D6CYP3A4MEN1
SCHEMBL14395237 0.72 CHRNB2 (0.44) CHRNB2CHRNA4CYP2D6CYP3A4MEN1
SCHEMBL29568322 0.72 CHRNB2 (0.44) CHRNB2CHRNA4CYP2D6CYP3A4MEN1
SCHEMBL359802 0.72 MAPK1 (0.42) CHRNB2CHRNA4CYP2D6CYP3A4MEN1
SCHEMBL359803 0.72 CHRNB2 (0.44) CHRNB2CHRNA4CYP2D6CYP3A4MEN1
SCHEMBL5038527 0.72 CHRNB2 (0.37) CHRNB2CHRNA4CYP2D6CYP3A4MEN1
Hydrochloric Acid SCHEMBL27585427 0.71 MAPT (0.44) CHRNB2CHRNA4CYP2D6CYP3A4DRD1
Bromide SCHEMBL3966126 0.71 CHRNB2 (0.42) CHRNB2CHRNA4CYP2D6CYP3A4MEN1
SCHEMBL29035907 0.71 CA1 (0.38) CHRNB2CHRNA4CYP2D6CYP3A4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7560450-B2 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2009-07-14 US claimed
US-20040138215-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-15 US claimed
US-20240109874-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2024-04-04 US disclosed
US-20220411413-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2022-12-29 US disclosed
US-20210009572-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2021-01-14 US disclosed
US-10865200-B2 Nitrogen-containing heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-12-15 US disclosed
EP-3134386-B1 ISOINDOLINE-1-ONE DERIVATIVES AS CHOLINERGIC MUSCARINIC M1 RECEPTOR POSITIVE ALLOESTERIC MODULATOR ACTIVITY FOR THE TREATMENT OF ALZHEIMERS DISEASE TAKEDA PHARMACEUTICALS CO (JP) 2020-05-20 EP disclosed
US-10457670-B2 Isoindoline-1-one derivatives as cholinergic muscarinic M1 receptor positive alloesteric modulator activity for the treatment of Alzheimers disease TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-10-29 US disclosed
US-20190241547-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2019-08-08 US disclosed
US-20180346452-A1 ISOINDOLINE-1-ONE DERIVATIVES AS CHOLINERGIC MUSCARINIC M1 RECEPTOR POSITIVE ALLOESTERIC MODULATOR ACTIVITY FOR THE TREATMENT OF ALZHEIMERS DISEASE TAKEDA PHARMACEUTICALS CO (JP) 2018-12-06 US disclosed
US-9868725-B2 Isoindoline-1-one derivatives as cholinergic muscarinic M1 receptor positive alloesteric modulator activity for the treatment of Alzheimer's disease TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-01-16 US disclosed
EP-0542525-B1 Antithrombotic agents LILLY CO ELI (US) 1998-07-08 EP disclosed
EP-0837071-A1 Tripeptide antithrombotic agents ELI LILLY AND COMPANY (US) 1998-04-22 EP disclosed
EP-0685489-A2 Tripeptide antithrombotic agents ELI LILLY AND COMPANY (US) 1995-12-06 EP disclosed
EP-0684258-A2 Tripeptide antithrombotic agents ELI LILLY AND COMPANY (US) 1995-11-29 EP disclosed
US-5430023-A Tripeptide antithrombotic agents ELI LILLY AND COMPANY (US) 1995-07-04 US disclosed
US-5416093-A DIPEPTIDE DERIVATIVES ELI LILLY AND COMPANY (US) 1995-05-16 US disclosed
US-5252566-A Antithrombotic agents ELI LILLY AND COMPANY (US) 1993-10-12 US disclosed
EP-0542525-A2 Antithrombotic agents ELI LILLY AND COMPANY (US) 1993-05-19 EP disclosed
EP-0479489-A2 Tripeptide antithrombotic agents ELI LILLY AND COMPANY (US) 1992-04-08 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 (8 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-10865200-B2 Nitrogen-containing heterocyclic compound CHRM1, CHRM5, CHRM2 CHRNB2 21/4885CHRNA4 8/4885CYP2D6 2164/4885
US-20240109874-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CHRM1, CHRM5, CHRM2 CHRNB2 21/4885CHRNA4 8/4885CYP2D6 2164/4885
US-20220411413-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CHRM1, CHRM5, CHRM2 CHRNB2 21/4885CHRNA4 8/4885CYP2D6 2164/4885
US-20180346452-A1 ISOINDOLINE-1-ONE DERIVATIVES AS CHOLINERGIC MUSCARINIC M1 RECEPTOR POSITIVE ALLOESTERIC MODULATOR ACTIVITY FOR THE TREATMENT OF ALZHEIMERS DISEASE CHRM1, CHRM2, CHRM5 CHRNB2 22/4885CHRNA4 11/4885CYP2D6 802/4885
US-20210009572-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CHRM1, CHRM5, CHRNA5 CHRNB2 19/4885CHRNA4 8/4885CYP2D6 2373/4885
US-20190241547-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CHRM1, CHRM5, CHRM2 CHRNB2 21/4885CHRNA4 8/4885CYP2D6 2164/4885
US-20040138215-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 CHRNB2 2519/4885CHRNA4 1566/4885CYP2D6 76/4885
US-10457670-B2 Isoindoline-1-one derivatives as cholinergic muscarinic M1 receptor positive alloesteric modulator activity for the treatment of Alzheimers disease CHRM1, CHRM2, CHRM5 CHRNB2 22/4885CHRNA4 11/4885CYP2D6 802/4885

“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.