SCHEMBL6352845

SCHEMBL6352845

Fc1ccc(C(F)(F)CCCBr)cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 2/20 0.33
KCNN4 O15554 1/20 0.32
PTPN1 P18031 1/20 0.32
USP2 O75604 1/20 0.31
RAB9A P51151 1/20 0.31
CYP1A1 P04798 1/20 0.31
CYP1B1 Q16678 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
CYP19A1 P11511 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
SCHEMBL1721653 0.91 KCNN4 (0.34) KCNN4PTPN1USP2RAB9ACYP1A1
SCHEMBL20603805 0.79 KCNN4 (0.32) KCNN4USP2RAB9ACYP1A1CYP1B1
SCHEMBL4785402 0.78 KCNN4 (0.37) KCNN4PTPN1USP2RAB9ACYP3A4
SCHEMBL1722405 0.74 KCNN4 (0.39) KCNN4USP2RAB9ACYP1A1CYP1B1
SCHEMBL20603608 0.74 KCNN4 (0.34) KCNN4USP2RAB9ACYP1A1CYP1B1
SCHEMBL15736923 0.74 IDO1 (0.41) KCNN4USP2RAB9ACYP1A1CYP1B1
SCHEMBL7813623 0.72 CYP3A4 (0.43) SIRT2PTPN1USP2RAB9ACYP3A4
SCHEMBL26633679 0.72 LMNA (0.43) KCNN4RAB9ACYP3A4
SCHEMBL9721848 0.72 KCNN4 (0.39) KCNN4PTPN1RAB9ACYP1A1CYP1B1
SCHEMBL10159619 0.71 TSHR (0.46) KCNN4PTPN1CYP2C9CYP2C19

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-20050014782-A1 Novel n-(heterobicycloalkanes)-substituted indoles-or heteroderivatives thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-01-20 US disclosed
EP-1496058-A1 Novel N-(heterobicycloalkanes)-substituted Indoles or heteroderivatives thereof Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2005-01-12 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-20050014782-A1 Novel n-(heterobicycloalkanes)-substituted indoles-or heteroderivatives thereof CCR3, CCR1, CCRL2 SIRT2 3982/4885KCNN4 2067/4885PTPN1 795/4885

“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.