SCHEMBL17030786

SCHEMBL17030786

CN1CCC(CCCC(C)(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.46
ACHE P22303 2/20 0.40
GNAO1 P09471 3/20 0.39
GNAI3 P08754 2/20 0.39
GNAI1 P63096 2/20 0.39
HRH3 Q9Y5N1 2/20 0.38
ALDH1A1 P00352 1/20 0.36
HRH4 Q9H3N8 2/20 0.33
SIGMAR1 Q99720 1/20 0.33
SLC18A3 Q16572 1/20 0.32
CYP1A2 P05177 1/20 0.32
NMT1 P30419 1/20 0.32

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
SCHEMBL12558470 0.92 NCF1 (0.39) NCF1ACHEGNAO1GNAI3GNAI1
SCHEMBL4544646 0.86 NCF1 (0.50) NCF1ACHEGNAO1GNAI3GNAI1
SCHEMBL245769 0.84 NCF1 (0.56) NCF1ACHEGNAO1GNAI3GNAI1
SCHEMBL11164665 0.84 NCF1 (0.56) NCF1ACHEGNAO1GNAI3GNAI1
SCHEMBL11157613 0.81 NCF1 (0.54) NCF1ACHEGNAO1GNAI3GNAI1
SCHEMBL24193655 0.81 CYP1A2 (0.40) ALDH1A1SIGMAR1CYP1A2
SCHEMBL19959026 0.81 ALDH1A1 (0.35) GNAO1ALDH1A1SLC18A3CYP1A2
SCHEMBL25707220 0.80 GNAO1 (0.49) GNAO1GNAI3GNAI1HRH3
SCHEMBL24673857 0.79 HRH3 (0.41) GNAO1HRH3ALDH1A1CYP1A2
SCHEMBL25096216 0.79 NCF1 (0.43) NCF1ACHEGNAO1GNAI3GNAI1

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-11834454-B2 Alkynylphenylbenzamide compounds and applications thereof SHENZHEN NEWDEL BIOTECH CO., LTD. (CN) 2023-12-05 US disclosed
US-20230212183-A9 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2023-07-06 US disclosed
US-20180118757-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2018-05-03 US disclosed
US-9840516-B2 Substituted quinazolines as inhibitors of KRAS G12C ARAXES PHARMA LLC (US) 2017-12-12 US disclosed
US-20160166571-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER ARAXES PHARMA LLC 2016-06-16 US disclosed
US-20150239900-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2015-08-27 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 (5 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-20180118757-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS NCF1 2538/4885ACHE 3684/4885GNAO1 110/4885
US-20150239900-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS NCF1 2471/4885ACHE 4285/4885GNAO1 103/4885
US-11834454-B2 Alkynylphenylbenzamide compounds and applications thereof ALK, NTRK1, ERBB2 NCF1 2731/4885ACHE 3827/4885GNAO1 1975/4885
US-20230212183-A9 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS NCF1 2471/4885ACHE 4285/4885GNAO1 103/4885
US-20160166571-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER KRAS, TP53, HRAS NCF1 947/4885ACHE 4882/4885GNAO1 1303/4885

“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.