SCHEMBL19498181

SCHEMBL19498181

CC(C)(C)N1Cc2ccc(N3CCC3)nc2C1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.42
▸ HTR2C P28335 1/20 0.42
▸ HTR3A P46098 4/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ HTR3E A5X5Y0 3/20 0.37
▸ HTR3B O95264 3/20 0.37
▸ HTR3D Q70Z44 3/20 0.37
▸ HTR3C Q8WXA8 3/20 0.37
▸ HRH3 Q9Y5N1 3/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ THPO P40225 1/20 0.37
▸ HRH4 Q9H3N8 1/20 0.37
▸ GRM2 Q14416 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL19498194 0.86 GAA (0.43) HTR2AHTR2CALDH1A1CYP1A2KDM4E
SCHEMBL17624444 0.81 HTR2A (0.45) HTR2AHTR2CHTR3AALDH1A1HTR3E
SCHEMBL19498196 0.81 CHRM3 (0.33) HTR2AHTR2C
SCHEMBL19498569 0.80 HPGDS (0.34) HTR2AHTR2C
SCHEMBL19498195 0.78 PDE10A (0.40) —
SCHEMBL19498168 0.75 MAPT (0.41) HTR3AHRH4MAPTPOLB
SCHEMBL19498162 0.74 CYP1A2 (0.32) HTR2AHTR2CHTR3AHTR3EHTR3B
SCHEMBL19498567 0.73 ABHD6 (0.43) HTR2AHTR2CHTR3AHTR3EHTR3B
SCHEMBL16639804 0.73 DRD2 (0.34) —
SCHEMBL19498186 0.70 NCF1 (0.38) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170305922-A1 CARM1 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-10-26 — — US disclosed
US-20170305922-A1 CARM1 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-10-26 — — 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-20170305922-A1 CARM1 INHIBITORS AND USES THEREOF CARM1, ADRM1, PRMT1 HTR2A 4298/4885HTR2C 4771/4885HTR3A 4126/4885

“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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