SCHEMBL123520

SCHEMBL123520

FC1CCN(c2nccnc2N2CCNCC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.49
HTR2C P28335 3/20 0.46
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL13116668 0.86 HTR2C (0.56) EPHX2HTR2CKDM4EALDH1A1
SCHEMBL126019 0.84 LMNA (0.46) EPHX2HTR2CKDM4EALDH1A1
SCHEMBL121657 0.84 KMT2A (0.48) EPHX2HTR2C
SCHEMBL170310 0.81 PDE10A (0.47) HTR2C
SCHEMBL122262 0.79 USP2 (0.55) EPHX2HTR2C
SCHEMBL23561114 0.73 HTR2C (0.49) EPHX2HTR2CKDM4EALDH1A1
SCHEMBL4987330 0.73 NEK2 (0.51) EPHX2HTR2CKDM4EALDH1A1
SCHEMBL28072264 0.73 HTR2C (0.49) EPHX2HTR2CKDM4EALDH1A1
SCHEMBL121912 0.73 HTR2C (0.49) EPHX2HTR2CKDM4EALDH1A1
SCHEMBL30592058 0.73 NEK2 (0.51) EPHX2HTR2CKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2201002-B1 5-HT7 RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2012-03-07 EP disclosed
EP-2201002-B1 5-HT7 RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2012-03-07 EP disclosed
US-7910588-B2 5-HT7 receptor antagonists ELI LILLY AND COMPANY (US) 2011-03-22 US disclosed
US-7910588-B2 5-HT7 receptor antagonists ELI LILLY AND COMPANY (US) 2011-03-22 US disclosed
US-7910588-B2 5-HT7 receptor antagonists ELI LILLY AND COMPANY (US) 2011-03-22 US disclosed
US-20100197700-A1 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2010-08-05 US disclosed
US-20100197700-A1 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2010-08-05 US disclosed
US-20100197700-A1 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2010-08-05 US disclosed
WO-2009048765-A1 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2009-04-16 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-20100197700-A1 5-HT7 RECEPTOR ANTAGONISTS HTR7, HTR1A, HTR2C EPHX2 986/4885HTR2C 3/4885KDM4E 2286/4885

“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.