SCHEMBL7218152

SCHEMBL7218152

Nc1ccc(CN2CCC(=O)CC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.63
LMNA P02545 1/20 0.59
HRH3 Q9Y5N1 4/20 0.50
SIGMAR1 Q99720 2/20 0.46
HRH4 Q9H3N8 1/20 0.42
KDM4E B2RXH2 1/20 0.41
CCR5 P51681 1/20 0.41
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 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
SCHEMBL6557554 0.89 ALDH1A1 (0.55) ALDH1A1LMNAHRH3SIGMAR1KDM4E
SCHEMBL10690328 0.83 LMNA (0.80) ALDH1A1LMNAHRH3SIGMAR1HRH4
SCHEMBL941871 0.82 KDM4E (0.62) ALDH1A1HRH3SIGMAR1KDM4ECCR5
SCHEMBL12625982 0.81 ALDH1A1 (0.59) ALDH1A1HRH3
SCHEMBL4703106 0.81 ALDH1A1 (0.61) ALDH1A1LMNAHRH3KDM4E
SCHEMBL2794745 0.81 TACR1 (0.55) ALDH1A1HRH3SIGMAR1KDM4E
SCHEMBL29088788 0.81 HRH3 (0.50) ALDH1A1HRH3SIGMAR1HRH4KDM4E
SCHEMBL8108397 0.81 ALDH1A1 (0.61) ALDH1A1LMNAHRH3KDM4E
SCHEMBL4591888 0.81 ALDH1A1 (0.59) ALDH1A1LMNAHRH3KDM4ECCR5
SCHEMBL758418 0.81 HRH3 (0.50) HRH3SIGMAR1HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6552054-B1 For prophylaxis and therapy of bone diseases and chondropathy TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-04-22 US disclosed
US-6531604-B2 Useful as medicines having an osteogenesis promoting effect and chondrogensis promoting effect. TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-03-11 US disclosed
US-20020128308-A1 Benzothiepine derivatives, their production and use YASUMA TSUNEO (JP) 2002-09-12 US disclosed
EP-1211251-A1 CHROMONE DERIVATIVES, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF Takeda Chemical Industries, Ltd. (JP) 2002-06-05 EP disclosed
US-6355672-B1 BONE DISORDERS; CENTRAL NERVOUS SYSTEM DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-03-12 US disclosed
EP-1103552-A1 BENZOTHIEPIN DERIVATIVES, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF Takeda Chemical Industries, Ltd. (JP) 2001-05-30 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-20020128308-A1 Benzothiepine derivatives, their production and use APP, BMP1, BACE1 ALDH1A1 3170/4885LMNA 2119/4885HRH3 56/4885

“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.