SCHEMBL771960

SCHEMBL771960

[CH2]CN1CCCC(OC)C1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
LTA4H P09960 1/20 0.34
HRH1 P35367 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
CYP3A4 P08684 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
DRD4 P21917 4/20 0.32
BCHE P06276 1/20 0.31
ADORA2A P29274 1/20 0.31
SIGMAR1 Q99720 3/20 0.31
TMEM97 Q5BJF2 2/20 0.31
MAP4K4 O95819 1/20 0.31
NPC1 O15118 1/20 0.31

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
SCHEMBL26981410 1.00 POLB (0.36) POLBLTA4HHRH1HRH3CYP3A4
SCHEMBL771319 0.88
SCHEMBL26981363 0.88
SCHEMBL771416 0.84 HSD11B1 (0.34) LTA4HNPC1
SCHEMBL24128105 0.82 CYP3A4 (0.46) POLBLTA4HHRH1CYP3A4CYP1A2
SCHEMBL6923031 0.82 CYP3A4 (0.46) POLBLTA4HHRH1CYP3A4CYP1A2
SCHEMBL24661960 0.82 CYP3A4 (0.46) POLBLTA4HHRH1CYP3A4CYP1A2
SCHEMBL771441 0.81 SIGMAR1 (0.35) CYP3A4CYP1A2CYP2D6DRD4BCHE
SCHEMBL771415 0.80 NPC1 (0.37) DRD4SIGMAR1TMEM97NPC1
SCHEMBL15174394 0.80 POLB (0.36) POLBLTA4HHRH1HRH3CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240166669-A1 QUINAZOLINE AMINE DERIVATIVES AS KRAS INHIBITORS NIKANG THERAPEUTICS, INC. 2024-05-23 US disclosed
CN-117255684-A Quinazolinamine derivatives as KRAS inhibitors 尼坎治疗公司 2023-12-19 CN disclosed
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
EP-2206715-A1 Fused heterotetracyclic compounds and use thereof as hcv polymerase inhibitor Japan Tobacco, Inc. (JP) 2010-07-14 EP disclosed
US-7659263-B2 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2010-02-09 US disclosed
EP-1719773-B1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC (JP) 2009-04-15 EP disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
EP-1719773-A1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2006-11-08 EP disclosed
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2006-07-27 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 (4 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-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor POLI, TERT, ZC3HAV1 POLB 77/4885LTA4H 3551/4885HRH1 3518/4885
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor TPMT, JAK2, GTF3C5 POLB 308/4885LTA4H 2237/4885HRH1 3140/4885
US-20240166669-A1 QUINAZOLINE AMINE DERIVATIVES AS KRAS INHIBITORS KRAS, NRAS, HRAS POLB 1016/4885LTA4H 4413/4885HRH1 1133/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 POLB 77/4885LTA4H 3551/4885HRH1 3518/4885

“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.