SCHEMBL4036459

SCHEMBL4036459

CCN1CCC(CC2CCNCC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GNAO1 P09471 7/20 0.49
HRH3 Q9Y5N1 3/20 0.40
GNAI3 P08754 6/20 0.40
GNAI1 P63096 6/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
EPHX1 P07099 2/20 0.34
EPHX2 P34913 1/20 0.33
ITGB3 P05106 2/20 0.32
ITGA2B P08514 2/20 0.32

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
SCHEMBL22793920 0.87 SMN1; SMN2 (0.46) HRH3SMN1; SMN2EPHX1EPHX2
SCHEMBL23867015 0.84 GNAO1 (0.58) GNAO1HRH3GNAI3GNAI1EPHX1
SCHEMBL13183482 0.84 GNAO1 (0.58) GNAO1HRH3GNAI3GNAI1SMN1; SMN2
SCHEMBL23997616 0.81 GNAO1 (0.44) GNAO1HRH3GNAI3GNAI1SMN1; SMN2
SCHEMBL3993182 0.79 CACNA2D1 (0.42) GNAO1HRH3GNAI3GNAI1SMN1; SMN2
SCHEMBL4031644 0.79 GBA1 (0.42) GNAO1
SCHEMBL26480956 0.78 SMN1; SMN2 (0.41) HRH3SMN1; SMN2EPHX1EPHX2
SCHEMBL27267481 0.78 NCF1 (0.48) GNAO1HRH3GNAI3GNAI1SMN1; SMN2
SCHEMBL7738185 0.78 HSD11B1 (0.47) HRH3SMN1; SMN2EPHX1EPHX2
SCHEMBL4036508 0.78 NCF1 (0.48) GNAO1HRH3GNAI3GNAI1ITGB3

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-7638631-B2 Methylene dipiperidine derivatives GLAXO GROUP LIMITED (GB) 2009-12-29 US disclosed
EP-1789410-B1 METHYLENE DIPIPERIDINE DERIVATIVES GLAXO GROUP LTD (GB) 2009-06-17 EP disclosed
US-20080108624-A1 Methylene Dipiperidine Derivatives GLAXO GROUP LIMITED (GB) 2008-05-08 US disclosed
EP-1789410-A1 METHYLENE DIPIPERIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2007-05-30 EP disclosed
WO-2006029906-A1 METHYLENE DIPIPERIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2006-03-23 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-20080108624-A1 Methylene Dipiperidine Derivatives DRD2, DRD4, PNMT GNAO1 3472/4885HRH3 620/4885GNAI3 2232/4885

“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.