SCHEMBL6046470

SCHEMBL6046470

CN(C)c1nnn(C(c2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.35
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
LMNA P02545 1/20 0.32
GRM5 P41594 2/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.30
NUDT1 P36639 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
SCHEMBL761956 0.77 CYP11B1 (0.35) KCNN4CYP11B1CYP11B2POLBSMN1; SMN2
SCHEMBL22576696 0.73 CYP11B1 (0.35) KCNN4CYP11B1CYP11B2
SCHEMBL752388 0.72 POLB (0.33) KCNN4CYP11B1CYP11B2LMNAALDH1A1
SCHEMBL4638378 0.71 SMN1; SMN2 (0.51) ALDH1A1POLBSMN1; SMN2
SCHEMBL21298820 0.71 LMNA (0.32) LMNA
SCHEMBL24033595 0.71 POLB (0.35) CYP11B1CYP11B2ALDH1A1POLBSMN1; SMN2
SCHEMBL1121836 0.70 NOTUM (0.35) CYP11B1CYP11B2ALDH1A1POLBSMN1; SMN2
SCHEMBL30343520 0.70 POLB (0.32) KCNN4CYP11B1CYP11B2POLBSMN1; SMN2
SCHEMBL24034152 0.70 CYP1A2 (0.34) CYP11B1CYP11B2POLBSMN1; SMN2
SCHEMBL10077140 0.70 CYP1A2 (0.34) 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 KCNN4 153/4885CYP11B1 734/4885CYP11B2 723/4885
US-20060252679-A1 Preventive and/or trerapeutic drgs for itch GPR4, TRPV1, TRPV4 KCNN4 690/4885CYP11B1 4724/4885CYP11B2 4775/4885

“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.