SCHEMBL30201079

SCHEMBL30201079

CN(C)C1(CCc2cccc(C(F)(F)F)c2)CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 4/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
OPRK1 P41145 3/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
USP30 Q70CQ3 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL25090079 1.00 TACR1 (0.45) TACR1KMT2AMEN1MAPTCYP1A2
SCHEMBL25089778 0.91 TACR1 (0.42) TACR1KMT2AMEN1MAPTCYP1A2
SCHEMBL30200812 0.91 TACR1 (0.42) TACR1KMT2AMEN1MAPTCYP1A2
SCHEMBL30201367 0.89 TACR1 (0.41) TACR1KMT2AMEN1OPRK1OPRM1
SCHEMBL25090266 0.89 TACR1 (0.41) TACR1KMT2AMEN1OPRK1OPRM1
SCHEMBL29328339 0.88 TACR1 (0.45) TACR1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL30202124 0.88 TACR1 (0.45) TACR1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL25090446 0.86 MEN1 (0.46) TACR1KMT2AMEN1MAPTCYP1A2
SCHEMBL30201121 0.86 MEN1 (0.46) TACR1KMT2AMEN1MAPTCYP1A2
SCHEMBL25090284 0.85 TACR1 (0.43) TACR1KMT2AMEN1MAPTCYP1A2

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-20240239766-A1 3-AMINO PIPERIDYL SODIUM CHANNEL INHIBITORS GENENTECH, INC. (US) 2024-07-18 US disclosed
WO-2023028056-A1 3-AMINO PIPERIDYL SODIUM CHANNEL INHIBITORS GENENTECH, INC. (US) 2023-03-02 WO 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-20240239766-A1 3-AMINO PIPERIDYL SODIUM CHANNEL INHIBITORS CACNA1E, TRPV1, SCN3A TACR1 174/4885KMT2A 882/4885MEN1 2615/4885

“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.