SCHEMBL7776562

SCHEMBL7776562

CN1CC[N+](C)(Cc2ccccc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.48
HTR1A P08908 1/20 0.45
HTR2C P28335 1/20 0.45
CHRNA7 P36544 6/20 0.44
SIGMAR1 Q99720 1/20 0.43
CHRM3 P20309 1/20 0.42
CHRNB2 P17787 2/20 0.41
CHRNA4 P43681 2/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
NFKB1 P19838 1/20 0.41
MAPK1 P28482 1/20 0.41
CHRNA3 P32297 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HIF1A Q16665 2/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
APOBEC3A P31941 1/20 0.40
PMP22 Q01453 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL15367682 0.83 CHRNA7 (0.43) CHRNA7CHRNB2CHRNA4MEN1POLB
SCHEMBL28536724 0.83 ALDH1A1 (0.42) ALOX15HSD17B10POLBSMN1; SMN2BCHE
SCHEMBL18459295 0.81 LMNA (0.51) HTR1AHTR2CCHRNA7SIGMAR1CHRNB2
SCHEMBL10256638 0.81 SIGMAR1 (0.59) MC4RSIGMAR1CYP3A4HSD17B10HIF1A
SCHEMBL2911826 0.80 MAPT (0.42) CHRNA7CHRNB2CHRNA4HSD17B10POLB
SCHEMBL3681307 0.79 CHRNA7 (0.60) CHRNA7CHRM3CHRNB2CHRNA4CHRNA3
Bromide SCHEMBL3874702 0.79 MAPT (0.41) CHRNA7CHRNB2CHRNA4HSD17B10POLB
SCHEMBL10256901 0.78 CHRNB2 (0.61) CHRNA7CHRM3CHRNB2CHRNA4CHRNA3
SCHEMBL12396126 0.78 CHRNA7 (0.45) CHRNA7CHRM3CHRNB2CHRNA4CYP3A4
Water SCHEMBL3683454 0.78 CHRNA7 (0.58) CHRNA7CHRM3CHRNB2CHRNA4HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0684248-B1 Process for the preparation of tertiary diarylalkylphosphines CELANESE CHEM EUROPE GMBH (DE) 2001-08-29 EP claimed
US-5527967-A Process for preparing tertiary diarylalkylphosphines HOECHST AKTIENGESELLSCHAFT (DE) 1996-06-18 US claimed
EP-0684248-A1 Process for the preparation of tertiary diarylalkylphosphines HOECHST AKTIENGESELLSCHAFT (DE) 1995-11-29 EP claimed
US-20120015925-A1 NOVEL BENZOTHIAZEPINE AND BENZOTHIEPINE COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2012-01-19 US disclosed
US-7973030-B2 Benzothiazepine and benzothiepine compounds ASAHI KASEI PHARMA CORPORATION (JP) 2011-07-05 US disclosed
US-7803792-B2 Quaternary ammonium compounds ASAHI KASEI PHARMA CORPORATION (JP) 2010-09-28 US disclosed
US-20070203115-A1 Novel quaternary ammonium compounds ASAHI KASEI PHARMA CORPORATION (JP) 2007-08-30 US disclosed
US-20070190041-A1 Novel benzothiazepine and bensothiepine compounds ASHAI KASEI PHARAMA CORPORATION (JP) 2007-08-16 US disclosed
EP-0684248-B1 Process for the preparation of tertiary diarylalkylphosphines CELANESE CHEM EUROPE GMBH (DE) 2001-08-29 EP disclosed
US-5527967-A Process for preparing tertiary diarylalkylphosphines HOECHST AKTIENGESELLSCHAFT (DE) 1996-06-18 US disclosed
EP-0684248-A1 Process for the preparation of tertiary diarylalkylphosphines HOECHST AKTIENGESELLSCHAFT (DE) 1995-11-29 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 (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-20070203115-A1 Novel quaternary ammonium compounds SLC10A2, SLC10A1, ABCB11 MC4R 3302/4885HTR1A 4023/4885HTR2C 4471/4885
US-20120015925-A1 NOVEL BENZOTHIAZEPINE AND BENZOTHIEPINE COMPOUNDS SLC10A1, SREBF1, SPTLC1 MC4R 3082/4885HTR1A 1761/4885HTR2C 2881/4885
US-20070190041-A1 Novel benzothiazepine and bensothiepine compounds SLC10A1, GOT1, CES1 MC4R 2662/4885HTR1A 2469/4885HTR2C 3431/4885

“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.