SCHEMBL13334202

SCHEMBL13334202

CCCCc1ccc(C#CCC[n+]2cc(C)cc(C)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 2/20 0.47
▸ FFAR4 Q5NUL3 1/20 0.47
▸ KCNH2 Q12809 4/20 0.40
▸ HSD17B10 Q99714 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ PTPN11 Q06124 1/20 0.36
▸ PTPRO Q16827 1/20 0.36
▸ MMP2 P08253 1/20 0.35
▸ MMP12 P39900 1/20 0.35
▸ TNK2 Q07912 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ SKP2 Q13309 1/20 0.35
▸ MAPT P10636 2/20 0.34
▸ RAD52 P43351 2/20 0.34
▸ HTT P42858 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ NPSR1 Q6W5P4 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
Bromide SCHEMBL3314057 0.99 FFAR1 (0.46) FFAR1FFAR4KCNH2HSD17B10TSHR
SCHEMBL13334127 0.89 FFAR1 (0.44) FFAR1FFAR4KCNH2HSD17B10TSHR
SCHEMBL13334133 0.86 HTT (0.46) FFAR1FFAR4KCNH2HSD17B10TSHR
SCHEMBL13334111 0.86 KDM4E (0.47) FFAR1FFAR4KCNH2HSD17B10TSHR
SCHEMBL4403620 0.85 CHRNA7 (0.39) FFAR1FFAR4KCNH2SMN1; SMN2MAPT
Bromide SCHEMBL16105160 0.85 FFAR1 (0.46) FFAR1FFAR4KCNH2MMP2MMP12
Bromide SCHEMBL3313581 0.85 HTT (0.45) FFAR1FFAR4KCNH2HSD17B10TSHR
Bromide SCHEMBL3315760 0.85 LMNA (0.46) FFAR1FFAR4KCNH2SMN1; SMN2MAPT
SCHEMBL13334356 0.82 CHRNA7 (0.56) FFAR1FFAR4KCNH2HSD17B10TSHR
SCHEMBL13361704 0.81 CA2 (0.43) HSD17B10CA2SMN1; SMN2SKP2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9550753-B2 Mono quaternary ammonium salts and methods for modulating neuronal nicotinic acetylcholine receptors UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2017-01-24 — — US disclosed
US-9550753-B2 Mono quaternary ammonium salts and methods for modulating neuronal nicotinic acetylcholine receptors UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2017-01-24 — — US disclosed
US-20140371266-A1 Mono Quaternary Ammonium Salts and Methods for Modulating Neuronal Nicotinic Acetylcholine Receptors UNIV KENTUCKY RES FOUND (US) 2014-12-18 — — US disclosed
US-20140371266-A1 Mono Quaternary Ammonium Salts and Methods for Modulating Neuronal Nicotinic Acetylcholine Receptors UNIV KENTUCKY RES FOUND (US) 2014-12-18 — — US disclosed
US-8846937-B2 Mono quaternary ammonium salts and methods for modulating neuronal nicotinic acetylcholine receptors UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2014-09-30 — — US disclosed
US-20100113511-A1 Mono Quaternary Ammonium Salts and Methods for Modulating Neuronal Nicotinic Acetylcholine Receptors UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2010-05-06 — — 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 (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-20100113511-A1 Mono Quaternary Ammonium Salts and Methods for Modulating Neuronal Nicotinic Acetylcholine Receptors CHRNA2, CHRNA4, CHRNA5 FFAR1 677/4885FFAR4 988/4885KCNH2 544/4885
US-20140371266-A1 Mono Quaternary Ammonium Salts and Methods for Modulating Neuronal Nicotinic Acetylcholine Receptors CHRNA2, CHRNA4, CHRNA5 FFAR1 652/4885FFAR4 953/4885KCNH2 530/4885

“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.

Send feedback