SCHEMBL19652134

SCHEMBL19652134

CN(C(=O)C(C)(C)C)C1CCN(Cc2ccccc2F)CC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 1/20 0.52
▸ KMT2A Q03164 5/20 0.50
▸ MEN1 O00255 4/20 0.50
▸ SIGMAR1 Q99720 1/20 0.50
▸ DPP4 P27487 1/20 0.48
▸ DPP8 Q6V1X1 1/20 0.48
▸ DPP9 Q86TI2 1/20 0.48
▸ DPP7 Q9UHL4 1/20 0.48
▸ ALDH1A1 P00352 4/20 0.48
▸ KDM4E B2RXH2 3/20 0.48
▸ POLB P06746 2/20 0.48
▸ ATM Q13315 1/20 0.48
▸ MAPK1 P28482 1/20 0.47
▸ CACNA1G O43497 1/20 0.47
▸ DCUN1D1 Q96GG9 1/20 0.47
▸ KCNH2 Q12809 1/20 0.47
▸ LMNA P02545 1/20 0.46
▸ HTT P42858 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
SCHEMBL19652163 0.88 CCR5 (0.55) CCR5KMT2ADPP4DPP8DPP9
SCHEMBL19658477 0.86 CCR5 (0.55) CCR5KMT2AMEN1SIGMAR1ALDH1A1
SCHEMBL13588400 0.82 SIGMAR1 (0.62) SIGMAR1KCNH2
SCHEMBL1921304 0.81 SIGMAR1 (0.53) CCR5KMT2AMEN1SIGMAR1ALDH1A1
SCHEMBL5170387 0.76 MEN1 (0.51) CCR5KMT2AMEN1SIGMAR1ALDH1A1
SCHEMBL19652131 0.76 KCNH2 (0.52) SIGMAR1KDM4EKCNH2
SCHEMBL19652090 0.75 SIGMAR1 (0.54) CCR5SIGMAR1KCNH2
SCHEMBL13374344 0.74 ATM (0.58) KMT2AMEN1SIGMAR1ALDH1A1KDM4E
SCHEMBL26384526 0.74 DRD2 (0.50) KMT2AMEN1SIGMAR1ALDH1A1KDM4E
SCHEMBL19658384 0.74 ATM (0.55) KMT2AMEN1SIGMAR1ALDH1A1KDM4E

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 CCR5 1178/4885KMT2A 165/4885MEN1 1364/4885
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 CCR5 1178/4885KMT2A 165/4885MEN1 1364/4885

“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