SCHEMBL17042191

SCHEMBL17042191

CCn1ccc(=O)c2cc(Br)ccc21

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
CYP19A1 P11511 7/20 0.44
CYP2C19 P33261 1/20 0.44
ABCC2 Q92887 1/20 0.40
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
IDO1 P14902 1/20 0.39
CSNK1D P48730 1/20 0.38
PSMB1 P20618 1/20 0.38
PSMB5 P28074 1/20 0.38
CNR2 P34972 1/20 0.38

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
SCHEMBL23992895 0.83 IDO1 (0.41) LMNACYP19A1CYP2C19IDO1
SCHEMBL28118365 0.81 PTGER4 (0.45) LMNACYP19A1CYP2C19HTR2AHTR2C
SCHEMBL7292525 0.81 PGR (0.42) LMNAHTR2AHTR2CCSNK1D
SCHEMBL7290105 0.80 PGR (0.43) LMNACSNK1D
SCHEMBL7285807 0.78 KDM4E (0.56) LMNAHTR2C
SCHEMBL16292269 0.77 LMNA (0.39) LMNACYP19A1CYP2C19ABCC2
SCHEMBL7281288 0.76 KDM4E (0.44) LMNA
SCHEMBL27480265 0.76 KDM4E (0.46) LMNACYP19A1
SCHEMBL29650348 0.75 NR3C1 (0.50) CSNK1D
SCHEMBL2851614 0.75 NR3C1 (0.50) CSNK1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10301305-B2 Heteroaromatic derivatives and their use as pharmaceuticals MUTABILIS (FR) 2019-05-28 US disclosed
EP-3110803-B1 HETEROAROMATIC DERIVATIVES AND THEIR USE AS PHARMACEUTICALS MUTABILIS (FR) 2018-07-11 EP disclosed
US-20170015661-A1 HETEROAROMATIC DERIVATIVES AND THEIR USE AS PHARMACEUTICALS MUTABILIS (FR) 2017-01-19 US disclosed
EP-2913330-A1 Condensed derivatives of imidazole useful as pharmaceuticals LABORATOIRE BIODIM (FR) 2015-09-02 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 (2 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-20170015661-A1 HETEROAROMATIC DERIVATIVES AND THEIR USE AS PHARMACEUTICALS MSR1, IFNAR1, NOD2 LMNA 2216/4885CYP19A1 1089/4885CYP2C19 174/4885
US-10301305-B2 Heteroaromatic derivatives and their use as pharmaceuticals MSR1, IFNAR1, NOD2 LMNA 2216/4885CYP19A1 1089/4885CYP2C19 174/4885

“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.