SCHEMBL18154531

SCHEMBL18154531

O=c1cc(OCc2ccc(C(F)(F)F)cc2)ccn1-c1ccc2c(c1)cc1n2CCNCC1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 20/20 0.58
KCNH2 Q12809 3/20 0.54
CYP3A4 P08684 2/20 0.44
HRH3 Q9Y5N1 1/20 0.42

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
Hydrochloric Acid SCHEMBL18154556 0.99 MCHR1 (0.57) MCHR1KCNH2CYP3A4HRH3
SCHEMBL18154553 0.90 MCHR1 (0.59) MCHR1KCNH2HRH3
SCHEMBL18154557 0.89 MCHR1 (0.59) MCHR1KCNH2
SCHEMBL18154559 0.88 MCHR1 (0.66) MCHR1KCNH2CYP3A4
SCHEMBL18154581 0.88 MCHR1 (0.54) MCHR1KCNH2CYP3A4
Hydrochloric Acid SCHEMBL18154567 0.88 MCHR1 (0.59) MCHR1KCNH2
Hydrochloric Acid SCHEMBL18154562 0.88 MCHR1 (0.65) MCHR1KCNH2CYP3A4
Hydrochloric Acid SCHEMBL21981719 0.87 MCHR1 (0.53) MCHR1KCNH2CYP3A4
Maleic Acid SCHEMBL31573840 0.84 MCHR1 (0.53) MCHR1KCNH2CYP3A4HRH3
SCHEMBL18154551 0.84 MCHR1 (0.51) MCHR1KCNH2CYP3A4HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3286193-B1 INDOLE DERIVATIVES RICHTER GEDEON NYRT (HU) 2020-05-27 EP disclosed
US-10329296-B2 Indole derivatives RICHTER GEDEON NYRT. (HU) 2019-06-25 US disclosed
US-20180093989-A1 INDOLE DERIVATIVES RICHTER GEDEON NYRT. (HU) 2018-04-05 US disclosed
EP-3286193-A1 INDOLE DERIVATIVES Richter Gedeon Nyrt. (HU) 2018-02-28 EP disclosed
WO-2016166684-A1 INDOLE DERIVATIVES RICHTER GEDEON NYRT. (HU) 2016-10-20 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 (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-10329296-B2 Indole derivatives TPH1, MCHR1, MC1R MCHR1 2/4885KCNH2 2003/4885CYP3A4 348/4885
US-20180093989-A1 INDOLE DERIVATIVES MC1R, MCHR1, TPH1 MCHR1 2/4885KCNH2 1806/4885CYP3A4 408/4885

“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.