SCHEMBL8948236

SCHEMBL8948236

CCCCCCC1CCCNC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.47
HRH3 Q9Y5N1 2/20 0.45
NAAA Q02083 1/20 0.45
TLR7 Q9NYK1 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
KMT2A Q03164 1/20 0.40
GNAO1 P09471 4/20 0.39
GNAI3 P08754 3/20 0.39
GNAI1 P63096 3/20 0.39
EPHX1 P07099 1/20 0.38
LSS P48449 2/20 0.36
ALDH1A1 P00352 1/20 0.36
SIGMAR1 Q99720 2/20 0.36
GBA1 P04062 3/20 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
SCHEMBL28741956 1.00 CYP1A2 (0.47) CYP1A2HRH3NAAATLR7HRH4
SCHEMBL7593657 1.00 CYP1A2 (0.47) CYP1A2HRH3NAAATLR7HRH4
SCHEMBL19286087 1.00 CYP1A2 (0.47) CYP1A2HRH3NAAATLR7HRH4
SCHEMBL19578854 1.00 CYP1A2 (0.47) CYP1A2HRH3NAAATLR7HRH4
SCHEMBL22857512 1.00 CYP1A2 (0.47) CYP1A2HRH3NAAATLR7HRH4
Hydrochloric Acid SCHEMBL4434024 0.98 CYP1A2 (0.45) CYP1A2HRH3NAAATLR7HRH4
SCHEMBL14368866 0.98 CYP1A2 (0.48) CYP1A2HRH3NAAATLR7HRH4
SCHEMBL902268 0.98 CYP1A2 (0.48) CYP1A2HRH3NAAATLR7HRH4
SCHEMBL14368874 0.98 CYP1A2 (0.48) CYP1A2HRH3NAAATLR7HRH4
Propane SCHEMBL11130919 0.96 CYP1A2 (0.47) CYP1A2HRH3NAAATLR7HRH4

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-5484949-A Method for the synthesis of α β-unsaturated ketones NIPPON SODA CO., LTD. (JP) 1996-01-16 US claimed
WO-2023067273-A1 CYCLIC AMINE MONOAMIDES FOR THE EXTRACTION OF URANIUM(VI) AND PLUTONIUM(IV) AND FOR THE SEPARATION THEREOF WITHOUT REDUCTION OF THE PLUTONIUM(IV) COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2023-04-27 WO disclosed
CN-101484442-A Compounds that are agonists of muscarinic receptors and tha may be effective in treating pain, alzheimer's disease and/or schizophrenia ASTRAZENECA AB (SE) 2009-07-15 CN disclosed
WO-2007126362-A1 COMPOUNDS THAT ARE AGONISTS OF MUSCARINIC RECEPTORS AND THAT MAY BE EFFECTIVE IN TREATING PAIN, ALZHEIMER'S DISEASE AND/OR SCHIZOPHRENIA ASTRAZENECA AB (SE) 2007-11-08 WO disclosed
US-20070259888-A1 Novel Compounds ASTRAZENECA AB (SE) 2007-11-08 US disclosed
US-20070259888-A1 Novel Compounds ASTRAZENECA AB (SE) 2007-11-08 US disclosed
US-5484949-A Method for the synthesis of α β-unsaturated ketones NIPPON SODA CO., LTD. (JP) 1996-01-16 US disclosed
EP-0454867-A1 A METHOD FOR THE SYNTHESIS OF -g(a), -g(b)-UNSATURATED KETONES. NIPPON SODA CO (JP) 1991-11-06 EP disclosed
WO-1991007370-A1 A METHOD FOR THE SYNTHESIS OF α, β-UNSATURATED KETONES NIPPON SODA CO., LTD. (JP) 1991-05-30 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 (1 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-20070259888-A1 Novel Compounds OPRL1, OPRM1, SIGMAR1 CYP1A2 285/4885HRH3 337/4885NAAA 3907/4885

“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.