SCHEMBL7797447

SCHEMBL7797447

O=C(C1=CCCC1)N1CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.47
LMNA P02545 1/20 0.45
HDAC4 P56524 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
CA2 P00918 2/20 0.41
CHKA P35790 1/20 0.41
HPGD P15428 1/20 0.41
HSP90AA1 P07900 1/20 0.41
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
HRH4 Q9H3N8 2/20 0.39
HRH3 Q9Y5N1 1/20 0.39
CA12 O43570 1/20 0.38

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
SCHEMBL7787863 0.95 SIGMAR1 (0.46) SIGMAR1LMNAHDAC4HDAC2HDAC8
SCHEMBL12193247 0.84 SIGMAR1 (0.46) SIGMAR1RXFP1CA2CHKAHPGD
SCHEMBL18896691 0.76 LMNA (0.46) LMNAHDAC4HDAC2HDAC8HDAC6
SCHEMBL1463716 0.75 CHRNA4 (0.51)
SCHEMBL1464130 0.72 CHRNA4 (0.54)
SCHEMBL8158841 0.72
SCHEMBL16117958 0.71 MEN1 (0.52) LMNAHPGDALDH1A1
SCHEMBL18896689 0.71 LMNA (0.42) LMNAHDAC4HDAC2HDAC8HDAC6
SCHEMBL15821744 0.71 LMNA (0.42) LMNAHDAC4HDAC2HDAC8HDAC6
SCHEMBL17953051 0.70 CHRNA4 (0.50)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3401314-B1 COVALENT INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2023-11-08 EP disclosed
US-10273207-B2 Covalent inhibitors of kras G12C ARAXES PHARMA LLC (US) 2019-04-30 US disclosed
US-20180162812-A1 COVALENT INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2018-06-14 US disclosed
US-20180162812-A1 COVALENT INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2018-06-14 US disclosed
US-9926267-B2 Covalent inhibitors of K-Ras G12C ARAXES PHARMA LLC (US) 2018-03-27 US disclosed
US-9926267-B2 Covalent inhibitors of K-Ras G12C ARAXES PHARMA LLC (US) 2018-03-27 US disclosed
US-20160159738-A1 COVALENT INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2016-06-09 US disclosed
US-20160159738-A1 COVALENT INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2016-06-09 US disclosed
US-9227978-B2 Covalent inhibitors of Kras G12C ARAXES PHARMA LLC (US) 2016-01-05 US disclosed
US-9227978-B2 Covalent inhibitors of Kras G12C ARAXES PHARMA LLC (US) 2016-01-05 US disclosed
WO-2014152588-A1 COVALENT INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2014-09-25 WO disclosed
US-20140288045-A1 COVALENT INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2014-09-25 US disclosed
US-20140288045-A1 COVALENT INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2014-09-25 US disclosed
US-20010031760-A1 Method of treating a patient having precancerous lesions with quinazoline derivatives PAMUKCU RIFAT (US) 2001-10-18 US disclosed
US-6262059-B1 Method of treating a patient having precancerous lesions with quinazoline derivatives CELL PATHWAYS, INC. 2001-07-17 US disclosed
US-4060615-A ANTIHYPERTENSIVE, PHOSPHODIESTERASE INHIBITOR MEAD JOHNSON & COMPANY (US) 1977-11-29 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-20140288045-A1 COVALENT INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS SIGMAR1 4816/4885LMNA 3439/4885HDAC4 1852/4885
US-20160159738-A1 COVALENT INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS SIGMAR1 4816/4885LMNA 3439/4885HDAC4 1852/4885
US-20180162812-A1 COVALENT INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS SIGMAR1 4816/4885LMNA 3439/4885HDAC4 1852/4885
US-20010031760-A1 Method of treating a patient having precancerous lesions with quinazoline derivatives MKI67, PCNA, NQO2 SIGMAR1 3912/4885LMNA 577/4885HDAC4 961/4885
US-10273207-B2 Covalent inhibitors of kras G12C KRAS, NRAS, HRAS SIGMAR1 4816/4885LMNA 3439/4885HDAC4 1852/4885

“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.