SCHEMBL14495040

SCHEMBL14495040

COc1cc2c(c(C#N)c1OC)CCN(C)CC2c1cccc(C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD1 P21728 11/20 0.52
▸ KDM4E B2RXH2 4/20 0.52
▸ MAPT P10636 3/20 0.52
▸ PMP22 Q01453 3/20 0.52
▸ CYP2D6 P10635 3/20 0.52
▸ ADRA2A P08913 2/20 0.52
▸ CYP3A4 P08684 2/20 0.52
▸ TSHR P16473 2/20 0.52
▸ THPO P40225 2/20 0.52
▸ HSD17B10 Q99714 2/20 0.52
▸ MTOR P42345 1/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ DRD2 P14416 6/20 0.50
▸ HTR2A P28223 5/20 0.50
▸ SLC6A2 P23975 2/20 0.46
▸ SLC6A4 P31645 2/20 0.46
▸ SLC6A3 Q01959 2/20 0.46
▸ ALOX15 P16050 1/20 0.41

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
SCHEMBL14495023 0.87 DRD1 (0.57) DRD1KDM4EMAPTPMP22CYP2D6
SCHEMBL14495047 0.81 DRD1 (0.43) DRD1KDM4EMAPTPMP22CYP2D6
SCHEMBL14495044 0.81 DRD1 (0.72) DRD1KDM4EMAPTPMP22CYP2D6
SCHEMBL14495037 0.80 DRD1 (0.52) DRD1KDM4EMAPTPMP22CYP2D6
Hydrochloric Acid SCHEMBL11259793 0.76 CYP3A4 (0.65) DRD1KDM4EMAPTPMP22CYP2D6
SCHEMBL7322313 0.73 CYP2D6 (0.63) DRD1KDM4EMAPTPMP22CYP2D6
SCHEMBL13928827 0.72 DRD1 (0.50) DRD1KDM4EMAPTPMP22CYP2D6
SCHEMBL13951402 0.71 CYP3A4 (0.51) DRD1KDM4EMAPTPMP22CYP2D6
SCHEMBL14510734 0.71 DRD1 (0.81) DRD1KDM4EMAPTPMP22CYP2D6
SCHEMBL13928820 0.70 SLC6A2 (0.62) DRD1KDM4EMAPTPMP22CYP2D6

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-20070142399-A1 Dual function drugs and uses thereof PSYCHIATRIC GENOMICS, INC. (US) 2007-06-21 — — US disclosed
US-20070142399-A1 Dual function drugs and uses thereof PSYCHIATRIC GENOMICS, INC. (US) 2007-06-21 — — 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-20070142399-A1 Dual function drugs and uses thereof COMT, DRD2, SLC6A3 DRD1 6/4885KDM4E 3362/4885MAPT 1230/4885

“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.

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