SCHEMBL7535855

SCHEMBL7535855

CC(CNCCOc1ccc(Br)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 8/20 0.65
KDM4E B2RXH2 4/20 0.51
ALDH1A1 P00352 3/20 0.51
DRD2 P14416 7/20 0.50
DRD3 P35462 7/20 0.50
NPC1 O15118 1/20 0.41
TAAR1 Q96RJ0 1/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
ATM Q13315 1/20 0.38
RHOC P08134 1/20 0.38
RHOA P61586 1/20 0.38

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
SCHEMBL7536144 0.78 DRD4 (0.45) DRD4KDM4EALDH1A1DRD2DRD3
Hydrochloric Acid SCHEMBL8057879 0.78 DRD4 (0.97) DRD4KDM4EALDH1A1DRD2DRD3
SCHEMBL7537852 0.71 SMN1; SMN2 (0.49) KDM4EALDH1A1NPC1KMT2AMEN1
SCHEMBL23067922 0.69 KMT2A (0.61) DRD4KDM4EALDH1A1DRD2DRD3
SCHEMBL5282486 0.69 KDM4E (0.53) DRD4KDM4EDRD2DRD3NPC1
SCHEMBL16085128 0.69 TAAR1 (0.42) DRD4KDM4EALDH1A1TAAR1KMT2A
SCHEMBL1979112 0.69 NPSR1 (0.48) NPC1TAAR1KMT2AMEN1LMNA
Hydrochloric Acid SCHEMBL5004335 0.67 DRD4 (0.66) DRD4DRD2DRD3NPC1TAAR1
Hydrochloric Acid SCHEMBL8042254 0.67 DRD4 (0.77) DRD4KDM4EALDH1A1DRD2DRD3
SCHEMBL7767418 0.67 HTR1B (0.64) DRD4KDM4EALDH1A1DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6414179-B1 USEFUL AGENTS IN THE TREATMENT OF INFLAMMATORY DISEASES SUCH AS ASTHMA, ARTHRITIS, INFLAMMATORY BOWEL DISEASE AND NEURODEGENERATIVE DISEASES BRISTOL-MYERS SQUIBB COMPANY 2002-07-02 US disclosed
US-20020065246-A1 Alpha-and beta- substituted trifluoromethyl ketones as phospholipase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2002-05-30 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 (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-20020065246-A1 Alpha-and beta- substituted trifluoromethyl ketones as phospholipase inhibitors PLA2G4B, PLA2G1B, PLA2R1 DRD4 3826/4885KDM4E 2495/4885ALDH1A1 977/4885

“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.