SCHEMBL4907893

SCHEMBL4907893

CCCCCCN1CCCC1

nearest known ligand 0.95

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.70
GNAI3 P08754 6/20 0.61
GNAO1 P09471 6/20 0.61
GNAI1 P63096 6/20 0.61
LTA4H P09960 1/20 0.53
BCHE P06276 1/20 0.49
GUSB P08236 2/20 0.48
EBP Q15125 1/20 0.48
SIGMAR1 Q99720 1/20 0.48

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
SCHEMBL28154297 1.00 HRH3 (0.70) HRH3GNAI3GNAO1GNAI1LTA4H
SCHEMBL1187251 1.00 HRH3 (0.70) HRH3GNAI3GNAO1GNAI1LTA4H
SCHEMBL1261593 1.00 HRH3 (0.70) HRH3GNAI3GNAO1GNAI1LTA4H
SCHEMBL1261675 1.00 HRH3 (0.70) HRH3GNAI3GNAO1GNAI1LTA4H
SCHEMBL898870 1.00 HRH3 (0.70) HRH3GNAI3GNAO1GNAI1LTA4H
SCHEMBL1261708 1.00 HRH3 (0.70) HRH3GNAI3GNAO1GNAI1LTA4H
SCHEMBL6114812 1.00 HRH3 (0.70) HRH3GNAI3GNAO1GNAI1LTA4H
SCHEMBL1564984 1.00 HRH3 (0.70) HRH3GNAI3GNAO1GNAI1LTA4H
SCHEMBL1262700 1.00 HRH3 (0.70) HRH3GNAI3GNAO1GNAI1LTA4H
SCHEMBL28106520 1.00 HRH3 (0.70) HRH3GNAI3GNAO1GNAI1LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080076760-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION WAKAMOTO PHARMACEUTICAL CO., LTD (JP) 2008-03-27 US disclosed
EP-1820799-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION Wakamoto Pharmaceutical Co., Ltd. (JP) 2007-08-22 EP disclosed
US-4727073-A CEREBOVASCULAR DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-02-23 US disclosed
US-4698340-A TREATMENT OF CEREBROVASCULAR DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-10-06 US disclosed
EP-0177287-A2 Pyrimidine derivatives, processes for preparation thereof and composition of the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-04-09 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-20080076760-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION GABRA5, GABRA1, GABRB1 HRH3 734/4885GNAI3 1131/4885GNAO1 1472/4885

“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.