SCHEMBL19652170

SCHEMBL19652170

CC(C)C(=O)N(C)CC1CCN(c2ncccn2)CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.49
CYP2C19 P33261 2/20 0.49
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
ALDH1A1 P00352 4/20 0.44
LMNA P02545 2/20 0.44
GPR119 Q8TDV5 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MDM2 Q00987 1/20 0.40
MAPT P10636 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
HCRTR2 O43614 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL19658668 0.86 KDM4E (0.51) KDM4ECYP2C19ADRA1DADRA1AADRA1B
SCHEMBL9347198 0.84 KDM4E (0.49) KDM4ECYP2C19ADRA1DADRA1AADRA1B
SCHEMBL19652205 0.80 GPR119 (0.47) GPR119
SCHEMBL8293473 0.75 DPP4 (0.41) KDM4EALDH1A1
SCHEMBL19652177 0.75 CYP2D6 (0.49) ALDH1A1LMNASMN1; SMN2
SCHEMBL15133278 0.75 KDM4E (0.49) KDM4ECYP2C19ADRA1DADRA1AADRA1B
SCHEMBL19652262 0.74 SMN1; SMN2 (0.42) KDM4ESMN1; SMN2
SCHEMBL19652159 0.74 ACHE (0.60)
SCHEMBL10527898 0.73 HRH3 (0.52) KDM4EALDH1A1SMN1; SMN2TDP1
SCHEMBL22856554 0.73 PIK3CD (0.41) KDM4EALDH1A1SMN1; SMN2TDP1

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
US-10258603-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-04-16 US disclosed
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 US disclosed
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 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 (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-10258603-B2 Therapeutic compounds and uses thereof BRD4, BRDT, BRD3 KDM4E 320/4885CYP2C19 4039/4885ADRA1D 1109/4885
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 KDM4E 320/4885CYP2C19 4039/4885ADRA1D 1109/4885

“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.