SCHEMBL20757148

SCHEMBL20757148

Clc1ccnc(C2CNC2)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 5/20 0.46
▸ CHRNA4 P43681 5/20 0.46
▸ CHRNB4 P30926 2/20 0.39
▸ CHRNA3 P32297 2/20 0.39
▸ HTR3A P46098 2/20 0.39
▸ CHRNA1 P02708 1/20 0.39
▸ ESR1 P03372 1/20 0.39
▸ CHRNG P07510 1/20 0.39
▸ CHRNB1 P11230 1/20 0.39
▸ CHRNA5 P30532 1/20 0.39
▸ CHRNA7 P36544 1/20 0.39
▸ CHRND Q07001 1/20 0.39
▸ CHRNA2 Q15822 1/20 0.39
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ SLC6A4 P31645 1/20 0.35
▸ HTR2C P28335 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL1937838 0.82 PROKR1 (0.43) CHRNA7
SCHEMBL20899259 0.77 KMO (0.34) —
Cyanide SCHEMBL27987841 0.77 PROKR1 (0.41) CHRNA7SLC6A2SLC6A4
SCHEMBL7707654 0.77 PROKR1 (0.44) CHRNA7
SCHEMBL15808427 0.77 CHRNB4 (0.46) CHRNB2CHRNA4CHRNB4CHRNA3HTR3A
SCHEMBL1740407 0.77 CCR1 (0.48) CHRNB2CHRNA4CHRNB4CHRNA3HTR3A
SCHEMBL24193332 0.76 KDM1A (0.35) CHRNB2CHRNA4CHRNA7
SCHEMBL32663005 0.76 KDM1A (0.35) CHRNB2CHRNA4CHRNA7
SCHEMBL24638478 0.73 HRH3 (0.38) CHRNB2CHRNA4CHRNB4CHRNA3HTR3A
SCHEMBL24180328 0.73 NOS3 (0.46) CHRNB2CHRNA4CHRNB4CHRNA3HTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11253499-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-02-22 — — US disclosed
EP-3668854-B1 NOVEL COMPOUNDS GLAXOSMITHKLINE IP DEV LTD (GB) 2022-01-12 — — EP disclosed
US-20200170997-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-06-04 — — US disclosed
WO-2019034702-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-02-21 — — 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 (2 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-11253499-B2 Compounds SDHA, SDHB, FDPS CHRNB2 4732/4885CHRNA4 4835/4885CHRNB4 4816/4885
US-20200170997-A1 NOVEL COMPOUNDS FNTB, SDHA, FDPS CHRNB2 4572/4885CHRNA4 4841/4885CHRNB4 4736/4885

“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.

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