SCHEMBL6806974

SCHEMBL6806974

O=C(NCCN1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccc2c(c1)CCNCC2

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.62
DRD3 P35462 6/20 0.62
OPRD1 P41143 3/20 0.53
HDAC1 Q13547 4/20 0.49
HDAC4 P56524 3/20 0.49
HTR1A P08908 1/20 0.49
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
MCHR1 Q99705 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
Hydrochloric Acid SCHEMBL5578178 0.99 DRD2 (0.61) DRD2DRD3OPRD1HDAC1HDAC4
SCHEMBL6800992 0.90 DRD2 (0.50) DRD2DRD3HTR1ACA1CA2
Hydrochloric Acid SCHEMBL5578018 0.89 DRD2 (0.49) DRD2DRD3HTR1ACA1CA2
Hydrochloric Acid SCHEMBL5578160 0.88 DRD2 (0.55) DRD2DRD3OPRD1HDAC1HDAC4
Hydrochloric Acid SCHEMBL5578415 0.84 ACHE (0.57) HTR1AMCHR1
SCHEMBL5578077 0.83 MCHR1 (0.67) DRD2DRD3OPRD1HDAC1HDAC4
Hydrochloric Acid SCHEMBL5578192 0.82 MCHR1 (0.66) DRD2DRD3OPRD1HDAC1HDAC4
Hydrochloric Acid SCHEMBL5578325 0.79 DRD3 (0.45) DRD2DRD3HTR1ACA1CA2
Hydrochloric Acid SCHEMBL5578185 0.78 OPRD1 (0.52) OPRD1HDAC1HDAC4
SCHEMBL6801333 0.78 HTR2C (0.55) OPRD1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040063699-A1 Gpr14 antagonist TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-01 US claimed
EP-1310490-A1 GPR14 ANTAGONIST Takeda Chemical Industries, Ltd. (JP) 2003-05-14 EP claimed
US-20040063699-A1 Gpr14 antagonist TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-01 US disclosed
EP-1310490-A1 GPR14 ANTAGONIST Takeda Chemical Industries, Ltd. (JP) 2003-05-14 EP 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-20040063699-A1 Gpr14 antagonist GPR142, GPR139, GPR4 DRD2 329/4885DRD3 433/4885OPRD1 54/4885

“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.