SCHEMBL7985754

SCHEMBL7985754

CCCCCCOC(=O)NC(=N)c1cc[c]cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.46
NPC1 O15118 6/20 0.45
RAB9A P51151 6/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
LMNA P02545 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 2/20 0.42
ACHE P22303 6/20 0.42
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 1/20 0.40
CASP1 P29466 1/20 0.40
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL7992455 0.99 NPC1 (0.44) EPHX1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL7985659 0.94 RAB9A (0.45) EPHX1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL7992134 0.89 SMN1; SMN2 (0.42) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL7974801 0.87 SMN1; SMN2 (0.39) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL6824699 0.86 RAB9A (0.56) EPHX1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL12368087 0.85 L3MBTL1 (0.48) EPHX1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL7975316 0.84 SMN1; SMN2 (0.36) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL7061424 0.84 NPC1 (0.63) EPHX1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL7057167 0.84 NPC1 (0.63) EPHX1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL7974771 0.84 FAAH (0.52) NPC1SMN1; SMN2LMNATSHRTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9682955-B2 Quinazoline derivatives useful as CB-1 inverse agonists JANSSEN PHARMACEUTICA NV (BE) 2017-06-20 US claimed
WO-2016040081-A1 QUINAZOLINE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2016-03-17 WO claimed
US-20160068512-A1 Quinazoline Derivatives Useful as CB-1 Inverse Agonists JANSSEN PHARMACEUTICA NV (BE) 2016-03-10 US claimed
US-9682955-B2 Quinazoline derivatives useful as CB-1 inverse agonists JANSSEN PHARMACEUTICA NV (BE) 2017-06-20 US disclosed
WO-2016040081-A1 QUINAZOLINE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2016-03-17 WO disclosed
US-20160068512-A1 Quinazoline Derivatives Useful as CB-1 Inverse Agonists JANSSEN PHARMACEUTICA NV (BE) 2016-03-10 US disclosed
US-6265418-B1 ANTICOAGULANTS UBE INDUSTRIES, LTD. (JP) 2001-07-24 US disclosed
EP-1020467-A1 N-ACYLAMINO ACID AMIDE COMPOUNDS AND INTERMEDIATES FOR PREPARATION THEREOF UBE INDUSTRIES LIMITED (JP) 2000-07-19 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 (1 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-20160068512-A1 Quinazoline Derivatives Useful as CB-1 Inverse Agonists CNR1, CNR2, GPR119 EPHX1 978/4885NPC1 178/4885RAB9A 992/4885

“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.