SCHEMBL4882289

SCHEMBL4882289

Cc1nn(-c2ccccc2)cc1CCl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.57
DRD4 P21917 1/20 0.57
DRD3 P35462 1/20 0.57
RAB9A P51151 4/20 0.48
NPC1 O15118 3/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 5/20 0.46
MAPT P10636 4/20 0.46
HPGD P15428 4/20 0.46
NPSR1 Q6W5P4 2/20 0.46
P2RX7 Q99572 1/20 0.46
USP2 O75604 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HTT P42858 3/20 0.44
LMNA P02545 2/20 0.44
OPRM1 P35372 1/20 0.44
OPRK1 P41145 1/20 0.44

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
SCHEMBL5904824 0.82 RAB9A (0.63) DRD2DRD4DRD3RAB9ANPC1
SCHEMBL5004852 0.79 CTSS (0.44) DRD2DRD4DRD3P2RX7KCNH2
SCHEMBL1194424 0.78 KDM4E (0.66) DRD2DRD4DRD3RAB9ANPC1
SCHEMBL953073 0.77 KDM4E (0.66) DRD2RAB9ANPC1MEN1KMT2A
SCHEMBL4037070 0.77 SMN1; SMN2 (0.44) DRD2DRD4DRD3ALDH1A1KDM4E
SCHEMBL17963418 0.76 HPGD (0.47) DRD2DRD4DRD3RAB9ANPC1
SCHEMBL5341410 0.75 RAB9A (0.50) DRD2DRD4DRD3RAB9ANPC1
SCHEMBL17594908 0.73 KDM4E (0.42) DRD2DRD4DRD3RAB9ANPC1
Ammonia Solution, Strong SCHEMBL28029770 0.73 RAB9A (0.49) DRD2DRD4DRD3RAB9ANPC1
SCHEMBL11255223 0.72 KDM4E (0.71) DRD2RAB9ANPC1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080255202-A1 Phenylthioacetic Acid Derivatives and Use Thereof BAYER HEALTHCARE AG (DE) 2008-10-16 US disclosed
EP-1742942-A1 PHENYLTHIOACETIC ACID DERIVATIVES AND USE THEREOF Bayer HealthCare AG (DE) 2007-01-17 EP disclosed
US-20060241157-A1 Heterocyclic ppar modulators ELI LILLY AND COMPANY 2006-10-26 US disclosed
WO-2005097784-A1 PHENYLTHIOACETIC ACID DERIVATIVES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2005-10-20 WO disclosed
EP-1585733-A1 HETEROCYCLIC PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-19 EP disclosed
WO-2004063166-A1 HETEROCYCLIC PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-07-29 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 (2 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-20060241157-A1 Heterocyclic ppar modulators PPARA, PPARG, PPARD DRD2 811/4885DRD4 975/4885DRD3 863/4885
US-20080255202-A1 Phenylthioacetic Acid Derivatives and Use Thereof PAH, TST, MPST DRD2 4505/4885DRD4 3811/4885DRD3 3882/4885

“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.