SCHEMBL918508

SCHEMBL918508

Fc1c(F)c(F)c(C(F)(F)N2CCNCC2)c(F)c1F

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
ADRB1 P08588 1/20 0.33
EPHX2 P34913 1/20 0.32
HTR3E A5X5Y0 1/20 0.30
HTR3B O95264 1/20 0.30
HTR1D P28221 1/20 0.30
HTR2C P28335 1/20 0.30
HTR3A P46098 1/20 0.30
HTR3D Q70Z44 1/20 0.30
HTR3C Q8WXA8 1/20 0.30
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL917629 0.74
SCHEMBL29649161 0.69 ADRB1 (0.34) ALDH1A1LMNAADRB1EPHX2HTR3E
SCHEMBL517802 0.68 ADRB1 (0.37) ALDH1A1LMNAADRB1EPHX2HTR3E
SCHEMBL28080518 0.67 ALDH1A1 (0.67) ALDH1A1LMNAADRB1EPHX2HTR3E
SCHEMBL26646496 0.66 ADRB1 (0.35) ALDH1A1LMNAADRB1HTR3EHTR3B
Hydrochloric Acid SCHEMBL12818396 0.66 ALDH1A1 (0.37) ALDH1A1LMNAADRB1HTR3EHTR3B
Hydrazine SCHEMBL27569857 0.64 ADRB1 (0.34) ALDH1A1LMNAADRB1HTR3EHTR3B
SCHEMBL28311781 0.64 ADRB1 (0.34) ALDH1A1LMNAADRB1HTR3EHTR3B
SCHEMBL15313178 0.64 ADRB1 (0.34) ALDH1A1LMNAADRB1HTR3EHTR3B
SCHEMBL1219179 0.62 ADRB1 (0.31) ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8981131-B2 Tricyclic compounds for the treatment of inflammatory disorders Piramal Enterprises Limited (IN) 2015-03-17 US disclosed
US-20110009396-A1 TRICYCLIC COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS Piramal Enterprises Limited (IN) 2011-01-13 US disclosed
WO-2009016565-A1 TRICYCLIC COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS PIRAMAL LIFE SCIENCES LIMITED (IN) 2009-02-05 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-20110009396-A1 TRICYCLIC COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS IL1R1, IL1B, IL1A ALDH1A1 1115/4885LMNA 1971/4885ADRB1 271/4885

“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.