SCHEMBL4042141

SCHEMBL4042141

CCOC(=O)c1[nH]c2c(C)c(Cl)ccc2c1C

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
ALDH1A1 P00352 3/20 0.49
HPGD P15428 3/20 0.49
RAB9A P51151 2/20 0.49
KDM4E B2RXH2 1/20 0.49
NPC1 O15118 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
USP2 O75604 1/20 0.47
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALOX15 P16050 4/20 0.47
LMNA P02545 2/20 0.44
CDK1 P06493 1/20 0.43
CCNB1 P14635 1/20 0.43

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
SCHEMBL4046879 0.90 ALDH1A1 (0.48) MAPTALDH1A1HPGDRAB9AKDM4E
SCHEMBL4090248 0.84 CDK1 (0.57) MAPTALDH1A1HPGDRAB9AKDM4E
SCHEMBL15622643 0.83 MCL1 (0.47) MAPTALDH1A1MEN1KMT2AUSP2
SCHEMBL13684773 0.82 ALDH1A1 (0.52) MAPTALDH1A1HPGDRAB9AKDM4E
SCHEMBL15622132 0.82 MAPK1 (0.46) MAPTALDH1A1HPGDKDM4ECYP1A2
SCHEMBL31025915 0.81 CSNK2A2 (0.53) MAPTALDH1A1HPGDKDM4EMEN1
SCHEMBL8321153 0.81 CYP1A2 (0.50) MAPTALDH1A1HPGDRAB9AKDM4E
SCHEMBL8322185 0.78 MAPT (0.49) MAPTALDH1A1HPGDRAB9AKDM4E
SCHEMBL13684664 0.78 ALDH1A1 (0.47) MAPTALDH1A1HPGDRAB9AKDM4E
SCHEMBL1254811 0.78 MCL1 (0.51) MAPTALDH1A1HPGDRAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1409468-B9 GUANIDINOBENZAMIDES AS MC4-R AGONISTS NOVARTIS VACCINES & DIAGNOSTIC (US) 2009-07-29 EP disclosed
EP-1370561-B1 TETRAHYDRO-PYRAZINO[1,2-A]INDOLES FOR THE TREATMENT OF CENTRAL NERVOUS DISORDERS HOFFMANN LA ROCHE (CH) 2009-02-11 EP disclosed
EP-1409468-B1 GUANIDINOBENZAMIDES AS MC4-R AGONISTS NOVARTIS VACCINES & DIAGNOSTIC (US) 2008-11-12 EP disclosed
US-6844345-B2 Piperazine derivatives HOFFMAN-LA ROCHE INC. (US) 2005-01-18 US disclosed
EP-1370561-A2 TETRAHYDRO-PYRAZINO[1,2-A]INDOLES FOR THE TREATMENT OF CENTRAL NERVOUS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2003-12-17 EP disclosed
US-20020169163-A1 Piperazine derivatives HOFFMAN-LA ROCHE INC. 2002-11-14 US disclosed
WO-2002072584-A2 TETRAHYDRO-PYRAZINO (1,2-A) INDOLES FOR THE TREATMENT OF CENTRAL NERVOUS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2002-09-19 WO 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-20020169163-A1 Piperazine derivatives GPR119, SLC5A2, DPP4 MAPT 2391/4885ALDH1A1 1203/4885HPGD 1383/4885

“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.