SCHEMBL19865050

SCHEMBL19865050

CCN1CC[C@@H](C)N(C(=O)Nc2cccnc2)c2nc(-c3ccnc(C)c3)ccc21

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 10/20 0.40
▸ HTR2A P28223 9/20 0.40
▸ WNT3A P56704 3/20 0.40
▸ CACNA1G O43497 4/20 0.39
▸ CACNA1H O95180 4/20 0.39
▸ CACNA1I Q9P0X4 4/20 0.39
▸ HTR2B P41595 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ PORCN Q9H237 1/20 0.37

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
SCHEMBL19365620 0.90 HTR2C (0.43) HTR2CHTR2AWNT3AHTR2BCYP1A2
SCHEMBL19670512 0.87 BTK (0.37) WNT3A
SCHEMBL19670405 0.86 BRAF (0.40) WNT3A
SCHEMBL19670179 0.85 HTR2C (0.46) HTR2CHTR2ACACNA1GCACNA1HCACNA1I
SCHEMBL19670393 0.85 ABL1 (0.42) HTR2CHTR2ACACNA1GCACNA1HCACNA1I
SCHEMBL19670388 0.85 CACNA1G (0.46) HTR2CHTR2ACACNA1GCACNA1HCACNA1I
SCHEMBL19670352 0.85 HTR2C (0.47) HTR2CHTR2AHTR2B
SCHEMBL19670589 0.83 HTR2C (0.42) HTR2CHTR2ACACNA1GCACNA1HCACNA1I
SCHEMBL19670527 0.83 NAMPT (0.46) CACNA1GCACNA1HCACNA1I
SCHEMBL19669970 0.82 PIK3CA (0.36) WNT3AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2018-02-15 — — US 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-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 HTR2C 4649/4885HTR2A 4359/4885WNT3A 4128/4885

“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.

Send feedback