SCHEMBL20754036

SCHEMBL20754036

OC1(c2cncc(Cl)n2)CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
HTR1A P08908 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44
DRD2 P14416 1/20 0.43
CDK2 P24941 1/20 0.34
PIM1 P11309 1/20 0.33
ADRB2 P07550 1/20 0.33
CHRNB2 P17787 3/20 0.32
CHRNA4 P43681 3/20 0.32
SIGMAR1 Q99720 1/20 0.32

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
SCHEMBL13646209 0.71 PIM1 (0.39) KDM4EALDH1A1CYP3A4CYP2C9HPGD
SCHEMBL652585 0.69 DRD2 (0.56) DRD2PIM1SIGMAR1
SCHEMBL20753913 0.68 NPC1 (0.42) MEN1KMT2ADRD2
SCHEMBL20753894 0.67 CYP11B2 (0.44) MEN1KMT2ADRD2
SCHEMBL1750265 0.66 DRD2 (0.61) DRD2CHRNB2CHRNA4SIGMAR1CHRNA7
SCHEMBL13646213 0.64 DRD2 (0.50) MEN1ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL2592490 0.64 DRD2 (0.46) ALDH1A1CYP3A4CYP2C9HPGDCYP2C19
SCHEMBL4303555 0.64 CDK2 (0.41) KDM4EMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL5696484 0.64 SIGMAR1 (0.50) KDM4EMEN1ALDH1A1CYP1A2CYP2C9
SCHEMBL29369238 0.63 AKR1C1 (0.40) MEN1ALDH1A1KMT2ACDK2

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
EP-3668853-B1 NOVEL COMPOUNDS GLAXOSMITHKLINE IP DEV LTD (GB) 2021-09-29 EP disclosed
US-20200253967-A1 NOVEL COMPOUNDS BioVersys AG (CH) 2020-08-13 US disclosed
WO-2019034701-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-02-21 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-20200253967-A1 NOVEL COMPOUNDS FNTB, SDHA, FDPS KDM4E 4291/4885MEN1 2095/4885ALDH1A1 791/4885

“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.