SCHEMBL13902828

SCHEMBL13902828

Oc1ccc2c(N3CCNCC3)noc2c1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 13/20 0.45
ESR2 Q92731 13/20 0.45
HSP90AA1 P07900 3/20 0.45
HTR2C P28335 1/20 0.44
HTR5A P47898 1/20 0.43
MAP2K7 O14733 1/20 0.43
FGFR1 P11362 1/20 0.40
FGFR2 P21802 1/20 0.40

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
Bromide SCHEMBL3899882 0.99 ESR1 (0.44) ESR1ESR2HSP90AA1HTR2CHTR5A
SCHEMBL6218345 0.82 DRD2 (0.47) HTR2C
SCHEMBL1840383 0.82 HRH4 (0.48) HTR2C
SCHEMBL6219432 0.82 HTR2C (0.44) HTR2C
Hydrochloric Acid SCHEMBL6248461 0.81 DRD2 (0.46) HTR2C
SCHEMBL26582532 0.79 HTR2C (0.42) HTR2C
SCHEMBL13899001 0.79 KDM4E (0.48) ESR1ESR2HSP90AA1
SCHEMBL26582533 0.79 HTR2C (0.42) HTR2C
SCHEMBL3911097 0.79 HTR3A (0.49)
SCHEMBL194219 0.78 HTR2C (0.50) HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7511046-B2 Thienoisoxazolyl- and thienylpyrrazolyl-phenoxy substituted propyl derivatives useful as D4 antagonists AVENTIS HOKLINGS INC. (US) 2009-03-31 US disclosed
US-20070004695-A1 THIENOISOXAZOLYL-AND THIENYLPYRRAZOLYL PHENOXY SUBSTITUTED PROPYL DERIVATIVES USEFUL AS D4 ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-01-04 US 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-20070004695-A1 THIENOISOXAZOLYL-AND THIENYLPYRRAZOLYL PHENOXY SUBSTITUTED PROPYL DERIVATIVES USEFUL AS D4 ANTAGONISTS DRD4, DRD2, SLC6A3 ESR1 2552/4885ESR2 3551/4885HSP90AA1 1077/4885

“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.