SCHEMBL19600978

SCHEMBL19600978

NCC1=Cc2ccc(O)cc2CC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.35
OPRK1 P41145 1/20 0.35
MCHR1 Q99705 3/20 0.34
PBRM1 Q86U86 1/20 0.34
HTR2A P28223 1/20 0.34
ABAT P80404 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
ENPP2 Q13822 1/20 0.33
AKR1B1 P15121 1/20 0.33
HSP90AA1 P07900 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
PRKCI P41743 1/20 0.33

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
SCHEMBL12015389 0.86 ESR2 (0.38) DRD2DRD4DRD3MCHR1ESR1
SCHEMBL19600977 0.79 MCHR1 (0.38) DRD2DRD3MCHR1HTR2A
SCHEMBL23132624 0.79 ADRA2A (0.33) DRD2DRD3HTR2A
SCHEMBL22042262 0.75 DRD2 (0.39) DRD2DRD4DRD3OPRK1PBRM1
SCHEMBL6822435 0.74 CYP19A1 (0.47) DRD2DRD3
SCHEMBL6080770 0.73 HTR2A (0.53) DRD2DRD3HTR2A
SCHEMBL31344788 0.72 DRD2 (0.37) DRD2DRD4DRD3OPRK1PBRM1
SCHEMBL21556956 0.71 S1PR1 (0.44) MAOB
SCHEMBL11211277 0.70 PTGS2 (0.45) PBRM1ESR1ESR2
SCHEMBL11632910 0.69 DRD4 (0.50) DRD2DRD4DRD3MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170327439-A1 DIHYDRONAPHTHALENE DERIVATIVE ONO PHARMACEUTICAL CO., LTD. (JP) 2017-11-16 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-20170327439-A1 DIHYDRONAPHTHALENE DERIVATIVE S1PR5, LPAR5, S1PR1 DRD2 104/4885DRD4 224/4885DRD3 195/4885

“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.