SCHEMBL7925522

SCHEMBL7925522

CCCCOCCC1CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GNAO1 P09471 5/20 0.47
GNAI3 P08754 4/20 0.43
GNAI1 P63096 4/20 0.43
TSHR P16473 1/20 0.40
CYP1A2 P05177 1/20 0.39
TLR7 Q9NYK1 7/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ITGB3 P05106 4/20 0.37
ITGA2B P08514 4/20 0.37
ITGAV P06756 1/20 0.36
CHRM2 P08172 1/20 0.36
SLC6A4 P31645 1/20 0.36
TLR8 Q9NR97 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
SCHEMBL2149027 0.83 GNAO1 (0.39) GNAO1GNAI3GNAI1ITGB3ITGA2B
SCHEMBL13107222 0.83 TSHR (0.46) TSHRCYP1A2SMN1; SMN2
SCHEMBL14395367 0.82 SMN1; SMN2 (0.48) GNAO1GNAI3GNAI1TSHRTLR7
Hydrochloric Acid SCHEMBL28699778 0.82 GNAO1 (0.41) GNAO1GNAI3GNAI1TLR7ITGB3
SCHEMBL293828 0.81 CYP1A2 (0.58) GNAO1GNAI3GNAI1CYP1A2ITGB3
SCHEMBL13335378 0.80 ITGB3 (0.52) ITGB3ITGA2BITGAVCHRM2SLC6A4
Piperazine SCHEMBL28236561 0.80 TSHR (0.52) GNAO1GNAI3GNAI1TSHRSMN1; SMN2
SCHEMBL20745114 0.80 SLC6A4 (0.39) GNAO1ITGB3ITGA2BSLC6A4
SCHEMBL7765919 0.79 CYP1A2 (0.64) TSHRCYP1A2SMN1; SMN2
SCHEMBL27756951 0.79 GNAO1 (0.46) GNAO1GNAI3GNAI1TSHRITGB3

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130184313-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2013-07-18 US disclosed
US-8445684-B2 Nicotinic acetylcholine receptor ligands and the uses thereof PsycoGenics Inc. (US) 2013-05-21 US disclosed
US-20100152450-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF PSYCHOGENICS, INC. (US) 2010-06-17 US disclosed
WO-2010045212-A2 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF PSYCHOGENICS, INCSTATUTS (US) 2010-04-22 WO disclosed
US-7645754-B2 Pyrrolopyrimidine A2B selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. (US) 2010-01-12 US disclosed
US-20080261943-A1 PYRROLOPYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI PHARMACEUTICALS, INC. (US) 2008-10-23 US disclosed
US-5925642-A ANTITUMOR, ANTIMETASTASIS AGENTS; DRUG RESISTANCE MODULATORS; SYNERGISTIC MIXTURES WITH ANTIBIOTICS AND CYTOSTATIC AGENTS; SIDE EFFECT REDUCTION BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1999-07-20 US disclosed
US-5668131-A CONTROLLING HELICOBACTER BACTERIA BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1997-09-16 US disclosed
US-3998827-A HYPOTENSIVE AGENTS THE UPJOHN COMPANY (US) 1976-12-21 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 (3 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-20080261943-A1 PYRROLOPYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE NR0B2, NR0B1, ADORA2B GNAO1 204/4885GNAI3 2151/4885GNAI1 2252/4885
US-20100152450-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF CHRNG, CHRNA5, CHRNA2 GNAO1 578/4885GNAI3 1400/4885GNAI1 1325/4885
US-20130184313-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF CHRNG, CHRNA5, CHRNA2 GNAO1 578/4885GNAI3 1400/4885GNAI1 1325/4885

“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.