SCHEMBL19652140

SCHEMBL19652140

Cc1cccc(CN2CCC(N(C)C(=O)C(C)C)CC2)c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.54
HTR2A P28223 3/20 0.54
HTR2C P28335 3/20 0.54
HTR2B P41595 3/20 0.54
SIGMAR1 Q99720 3/20 0.54
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
HTT P42858 1/20 0.50
DRD4 P21917 2/20 0.48
UBE2M P61081 1/20 0.48
DCUN1D1 Q96GG9 1/20 0.48
CCR3 P51677 1/20 0.47
CXCR4 P61073 1/20 0.47
CCR5 P51681 1/20 0.46
FAAH O00519 1/20 0.46

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
SCHEMBL19652261 0.87 CCR5 (0.55) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL19658974 0.86 DRD2 (0.54) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL19652138 0.85 KDM4E (0.58) DRD2SIGMAR1ALDH1A1KDM4EMEN1
SCHEMBL19652186 0.84 CXCR4 (0.50) DRD2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL29321604 0.79 SIGMAR1 (0.57) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL19652189 0.79 NPY5R (0.57) ALDH1A1MEN1KMT2ACCR5
SCHEMBL29321598 0.79 SIGMAR1 (0.57) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL13478907 0.78 SIGMAR1 (0.61) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL7496079 0.77 OPRM1 (0.64) DRD2SIGMAR1DRD4CCR5
SCHEMBL27895731 0.76 ACHE (0.59) DRD2ALDH1A1KDM4EMEN1KMT2A

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 DRD2 2016/4885HTR2A 3753/4885HTR2C 3140/4885
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 DRD2 2016/4885HTR2A 3753/4885HTR2C 3140/4885

“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.