SCHEMBL19316732

SCHEMBL19316732

CC(C)COCC#Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 5/20 0.50
▸ SIGMAR1 Q99720 5/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ THPO P40225 1/20 0.44
▸ BLM P54132 1/20 0.42
▸ PMP22 Q01453 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ HTR2C P28335 4/20 0.41
▸ HTR2B P41595 4/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ CA12 O43570 1/20 0.41

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
SCHEMBL1276464 0.82 CYP1A2 (0.56) HTR2ASIGMAR1NPSR1CYP1A2CYP3A4
SCHEMBL5243364 0.79 NPSR1 (0.53) HTR2ASIGMAR1NPSR1CYP1A2CYP3A4
SCHEMBL12267719 0.77 NPSR1 (0.47) HTR2ASIGMAR1NPSR1CYP1A2CYP3A4
SCHEMBL20438072 0.77 HTR2A (0.53) HTR2ASIGMAR1NPSR1CYP1A2CYP3A4
SCHEMBL2566639 0.74 HTR2A (0.70) HTR2ASIGMAR1NPSR1CYP1A2CYP3A4
SCHEMBL8349426 0.74 CYP2C19 (0.52) HTR2ASIGMAR1NPSR1CYP1A2CYP3A4
SCHEMBL19359277 0.73 MMP2 (0.61) HTR2ASIGMAR1NPSR1CYP1A2CYP3A4
SCHEMBL13259162 0.73 KDM4E (0.51) HTR2ASIGMAR1NPSR1CYP1A2CYP3A4
SCHEMBL20729394 0.73 HTR2A (0.49) HTR2ASIGMAR1NPSR1CYP1A2CYP3A4
SCHEMBL21214839 0.73 GRM5 (0.36) HTR2ASIGMAR1HTR2CHTR2BMEN1

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-20170253601-A1 Substituted Pyrrolidine Compounds Epizyme, Inc. (US) 2017-09-07 — — 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-20170253601-A1 Substituted Pyrrolidine Compounds SMYD2, SMYD3, SNRPD2 HTR2A 3159/4885SIGMAR1 538/4885NPSR1 2831/4885

“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.

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