SCHEMBL1787870

SCHEMBL1787870

N#Cc1ccc2c(c1)CCN(C1=CC=C1)CC2

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.45
DRD3 P35462 9/20 0.45
PNMT P11086 1/20 0.45
AKR1C3 P42330 2/20 0.42
AKR1C1 Q04828 1/20 0.42
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
HTR6 P50406 1/20 0.36
KDM1A O60341 2/20 0.35
CYP19A1 P11511 1/20 0.34
DRD4 P21917 1/20 0.34
OPRM1 P35372 1/20 0.34

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
SCHEMBL3098179 0.80 MAOB (0.50)
SCHEMBL3089908 0.78 PDE4B (0.48) OPRM1
SCHEMBL3101138 0.77 MAOB (0.53) HTR6
SCHEMBL26161470 0.76 DRD2 (0.59) DRD2DRD3PNMTHTR2AHTR2C
SCHEMBL3089928 0.76 DRD1 (0.50) DRD2DRD3DRD4
SCHEMBL1788212 0.76 ASIC3 (0.40) PNMTAKR1C3MAPTHTR2AHTR2C
Hydrochloric Acid SCHEMBL1640489 0.74 DRD1 (0.49) DRD2DRD3AKR1C3DRD4
SCHEMBL15025183 0.72 DRD2 (0.62) DRD2DRD3PNMTAKR1C3AKR1C1
SCHEMBL1787636 0.72 KMT2A (0.38) MAPT
SCHEMBL1790111 0.72 GRIN2B (0.39) DRD2HTR2AHTR2C

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-2326625-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HSTAMINE H3 ANTAGONISTS Takeda Pharmaceutical Company Limited (JP) 2011-06-01 EP disclosed
US-20110124626-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HISTAMINE H3 ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-26 US disclosed
WO-2010007382-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HSTAMINE H3 ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED. (JP) 2010-01-21 WO 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-20110124626-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HISTAMINE H3 ANTAGONISTS HRH4, HRH3, HRH2 DRD2 79/4885DRD3 54/4885PNMT 685/4885

“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.