SCHEMBL4274384

SCHEMBL4274384

CC1(C)CCC(=O)C=C1c1ccc2ccccc2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.40
RAB9A P51151 10/20 0.40
KDM4E B2RXH2 9/20 0.40
SMN1; SMN2 Q16637 7/20 0.40
ALDH1A1 P00352 6/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
POLB P06746 3/20 0.40
LMNA P02545 2/20 0.40
CYP19A1 P11511 3/20 0.38
MAPT P10636 6/20 0.37
CYP1A2 P05177 3/20 0.37
CYP3A4 P08684 3/20 0.37
AR P10275 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL4276542 0.75 RAB9A (0.44) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL4270146 0.75 NPC1 (0.38) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL4268745 0.75 KDM4E (0.39) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL4274351 0.72 CYP19A1 (0.47) NPC1RAB9AALDH1A1POLBLMNA
SCHEMBL4275676 0.71 PTPN1 (0.40) RAB9AKDM4ESMN1; SMN2ALDH1A1MEN1
SCHEMBL4271535 0.69 CHRM1 (0.35) NPC1RAB9APOLBCYP19A1
SCHEMBL4264728 0.69 NPC1 (0.40) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL170196 0.66 RAB9A (0.64) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL29374931 0.66 RAB9A (0.64) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL1163408 0.65 RAB9A (0.53) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7605183-B2 Inhibitory or blocking agents of molecular generating and/or inducing functions KOYAMA SHOZO 2009-10-20 US disclosed
US-20080200558-A1 Inhibitory or blocking agents of molecular generating and/or/ inducing functions KOYAMA SHOZO 2008-08-21 US disclosed
US-20070066654-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions KOYAMA SHOZO 2007-03-22 US disclosed
EP-0780122-B1 DEPRESSANT OF FUNCTIONS DEVELOPED BY MOLECULE KOYAMA SHOZO (JP) 2006-11-22 EP disclosed
US-20040224926-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions KOYAMA SHOZO (JP) 2004-11-11 US disclosed
US-6710090-B2 A CYCLOHEX-1-EN-2-ONE COMPOUND KOYAMA SHOZO (JP) 2004-03-23 US disclosed
US-20020165206-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions KOYAMA SHOZO (JP) 2002-11-07 US disclosed
US-6346551-B1 ANTIBACTERIAL, ANTIFUNGAL, ANTIVIRAL, BACTERICIDAL AND/OR STERILIZATION AGENTS, ANTICANCER DRUGS, BLOOD COAGULATION AND FIBRINOLYSIS INHIBITORS AND/OR BLOCKING AGENTS, INHIBITORY AND/OR BLOCKING AGENTS OF ANTIGEN-ANTIBODY REACTIONS KOYAMA SHOZO (JP) 2002-02-12 US disclosed
EP-0780122-A1 DEPRESSANT OF FUNCTIONS DEVELOPED BY MOLECULE Koyama, Shozo (JP) 1997-06-25 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 (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-20070066654-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions CD47, SERPINB6, CD74 NPC1 4647/4885RAB9A 2728/4885KDM4E 3382/4885
US-20020165206-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions CD69, TFPI, SERPINE1 NPC1 2929/4885RAB9A 4227/4885KDM4E 3869/4885
US-20040224926-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions CD47, MCL1, CD74 NPC1 4264/4885RAB9A 2415/4885KDM4E 3887/4885
US-20080200558-A1 Inhibitory or blocking agents of molecular generating and/or/ inducing functions CD47, MCL1, BAK1 NPC1 4584/4885RAB9A 2832/4885KDM4E 3452/4885

“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.