SCHEMBL3050890

SCHEMBL3050890

COc1cc2c(cc1O)CCN(Cc1cc(OC)c(OC)c(OC)c1)C2C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 7/20 0.64
DRD2 P14416 5/20 0.64
DRD3 P35462 3/20 0.64
SIGMAR1 Q99720 1/20 0.64
CA9 Q16790 2/20 0.60
CA2 P00918 1/20 0.60
MAOA P21397 2/20 0.60
TBXA2R P21731 2/20 0.50
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
DHFR P00374 2/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
DRD5 P21918 1/20 0.47
CYP2D6 P10635 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ADRB2 P07550 1/20 0.46

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
SCHEMBL3057653 0.83 DRD2 (0.61) DRD1DRD2DRD3SIGMAR1MAOA
SCHEMBL3057030 0.82 CA2 (0.66) DRD1DRD2DRD3SIGMAR1CA9
SCHEMBL27715262 0.82 DRD1 (0.52) DRD1DRD2DRD3SIGMAR1CA9
SCHEMBL3051846 0.79 CHRNA7 (0.54) DRD1DRD2DRD3SIGMAR1DHFR
SCHEMBL8034415 0.76 MAOA (0.97) DRD1DRD2DRD3MAOAALDH1A1
SCHEMBL14740349 0.76 DRD2 (0.61) DRD1DRD2DRD3SIGMAR1MAOA
SCHEMBL28742794 0.76 DRD2 (0.56) DRD1DRD2DRD3SIGMAR1MAOA
SCHEMBL10658249 0.76 MAOA (0.57) DRD1DRD2DRD3SIGMAR1MAOA
SCHEMBL11625663 0.76 DRD2 (0.45) DRD1DRD2DRD3SIGMAR1CA9
SCHEMBL3052491 0.76 CA9 (0.60) DRD1DRD2DRD3SIGMAR1CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155192-B1 TETRAHYDROISOQUINOLINES AS TUMOUR GROWTH INHIBITORS STERIX LTD (GB) 2016-09-28 EP disclosed
US-8394825-B2 Compound STERIX LIMITED (GB) 2013-03-12 US disclosed
US-20100222299-A1 COMPOUND STERIX LIMITED (GB) 2010-09-02 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-20100222299-A1 COMPOUND MKI67, VHL, MYC DRD1 3150/4885DRD2 2317/4885DRD3 3408/4885

“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.