SCHEMBL8018199

SCHEMBL8018199

O=C1CNCc2cc(F)ccc2N1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 2/20 0.44
MAOB P27338 2/20 0.41
PKM P14618 2/20 0.40
SRD5A1 P18405 2/20 0.40
AHR P35869 1/20 0.40
HDAC3 O15379 1/20 0.39
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C19 P33261 1/20 0.38
MGAT2 Q10469 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
NR3C2 P08235 1/20 0.36

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
SCHEMBL8031052 0.86 HTR5A (0.44) HTR5ASRD5A1AHRKMT2ACYP1A2
SCHEMBL152963 0.79 AHR (0.61) HTR5AMAOBAHRHDAC3CYP1A2
SCHEMBL5102052 0.79 AHR (0.66) HTR5AMAOBPKMSRD5A1AHR
SCHEMBL2233596 0.78 PKM (0.58) HTR5AMAOBPKMSRD5A1KMT2A
SCHEMBL3764909 0.78 AHR (0.38) PKMAHRCA9KIF11
SCHEMBL15998271 0.76 PDE3B (0.58) HTR5AMAOBSRD5A1KMT2ACYP1A2
SCHEMBL29546522 0.76 PDE3B (0.58) HTR5AMAOBSRD5A1KMT2ACYP1A2
Trifluoroacetic Acid SCHEMBL787514 0.76 HTR5A (0.36) HTR5ASRD5A1AHRHDAC3KMT2A
SCHEMBL31310679 0.75 MAPT (0.58) HTR5APKMSRD5A1KMT2AMAPT
SCHEMBL2407068 0.75 MAPT (0.58) HTR5APKMSRD5A1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2250157-B1 NOVEL HETEROCYCLIC COMPOUNDS PANACEA BIOTEC LTD (IN) 2014-11-05 EP disclosed
US-8455479-B2 Heterocyclic compounds PANACEA BIOTEC LIMITED (IN) 2013-06-04 US disclosed
US-8455479-B2 Heterocyclic compounds PANACEA BIOTEC LIMITED (IN) 2013-06-04 US disclosed
US-20100311732-A1 NOVEL HETEROCYCLIC COMPOUNDS PANACEA BIOTEC PHARMA LIMITED (IN) 2010-12-09 US disclosed
US-20100311732-A1 NOVEL HETEROCYCLIC COMPOUNDS PANACEA BIOTEC PHARMA LIMITED (IN) 2010-12-09 US disclosed
WO-2009093269-A1 NOVEL HETEROCYCLIC COMPOUNDS PANACEA BIOTEC LIMITED (IN) 2009-07-30 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-20100311732-A1 NOVEL HETEROCYCLIC COMPOUNDS DPP4, DPP3, DPP8 HTR5A 654/4885MAOB 802/4885PKM 346/4885

“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.