SCHEMBL6046474

SCHEMBL6046474

CNCc1nnn(C(c2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KCNN4 O15554 1/20 0.32
TACR1 P25103 1/20 0.32
TRPV1 Q8NER1 2/20 0.32
CNR2 P34972 4/20 0.32
CNR1 P21554 1/20 0.32
HTR2C P28335 3/20 0.32
SLC6A4 P31645 3/20 0.32
HTR2A P28223 2/20 0.32
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM1A O60341 1/20 0.30
PKM P14618 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 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
SCHEMBL752388 0.82 POLB (0.33) MEN1KMT2AKCNN4TRPV1CNR2
SCHEMBL5603377 0.81 TRPV1 (0.42) TRPV1CNR2CNR1
SCHEMBL1121836 0.80 NOTUM (0.35) CNR2POLBSMN1; SMN2CYP11B1CYP11B2
SCHEMBL30343520 0.79 POLB (0.32) KCNN4TRPV1CNR2CNR1POLB
SCHEMBL18982574 0.79 NOTUM (0.34) KCNN4POLBSMN1; SMN2CYP11B1CYP11B2
SCHEMBL653830 0.79 CYP11B1 (0.33) KCNN4POLBSMN1; SMN2CYP11B1CYP11B2
SCHEMBL5641795 0.78 CNR2 (0.38) CNR2CYP11B1CYP11B2
SCHEMBL8131036 0.76 DAGLA (0.32) CYP11B1CYP11B2
SCHEMBL12327489 0.76 DAGLA (0.35) HTR2ASMN1; SMN2CYP11B1CYP11B2
SCHEMBL22832703 0.75 IDO1 (0.36) CYP11B1CYP11B2

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-20060252679-A1 Preventive and/or trerapeutic drgs for itch KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-11-09 US disclosed
US-20060239999-A1 Preventive and/or therapeutic drugs for asthma KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-10-26 US disclosed
EP-1547616-A1 PREVENTIVE AND/OR THERAPEUTIC DRUGS FOR ITCH KYOWA HAKKO KOGYO CO., LTD. (JP) 2005-06-29 EP disclosed
EP-1537879-A1 PREVENTIVE AND/OR THERAPEUTIC DRUGS FOR ASTHMA KYOWA HAKKO KOGYO CO., LTD. (JP) 2005-06-08 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-20060239999-A1 Preventive and/or therapeutic drugs for asthma GPR4, HRH4, GPR3 KDM4E 1411/4885CYP3A4 953/4885MAPT 4791/4885
US-20060252679-A1 Preventive and/or trerapeutic drgs for itch GPR4, TRPV1, TRPV4 KDM4E 1843/4885CYP3A4 4016/4885MAPT 3054/4885

“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.