SCHEMBL21865664

SCHEMBL21865664

CCCCN1Cc2ccccc2[C@@H]1C

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
CYP1A2 P05177 2/20 0.49
RGS12 O14924 1/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
CYP3A4 P08684 1/20 0.49
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
SIGMAR1 Q99720 8/20 0.43
HTR1A P08908 2/20 0.42
OPRM1 P35372 1/20 0.39
OPRK1 P41145 1/20 0.39
DRD2 P14416 1/20 0.39
DRD1 P21728 1/20 0.39
DRD4 P21917 1/20 0.39

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
SCHEMBL31512859 0.94 CYP1A2 (0.53) MAPTCYP1A2RGS12KDM4EMEN1
SCHEMBL19888932 0.79 SLC6A2 (0.42) MAPTCYP1A2RGS12KDM4EMEN1
SCHEMBL19901375 0.79 SLC6A2 (0.42) MAPTCYP1A2RGS12KDM4EMEN1
SCHEMBL15679232 0.79 SLC6A2 (0.42) MAPTCYP1A2RGS12KDM4EMEN1
SCHEMBL4859002 0.75 OPRM1 (0.47) CYP1A2KDM4EMEN1KMT2AALDH1A1
SCHEMBL9463190 0.73 MAPT (0.49) MAPTCYP1A2RGS12KDM4EMEN1
SCHEMBL9851315 0.73 MAPT (0.49) MAPTCYP1A2RGS12KDM4EMEN1
SCHEMBL11997024 0.72 SLC6A2 (0.46) MAPTCYP1A2RGS12KDM4EMEN1
SCHEMBL18559580 0.72 SLC6A2 (0.46) MAPTCYP1A2RGS12KDM4EMEN1
SCHEMBL10278431 0.72 SLC6A2 (0.46) MAPTCYP1A2RGS12KDM4EMEN1

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-10597702-B2 Molecule detection using boronic acid substituted probes ONTERA INC. (US) 2020-03-24 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-10597702-B2 Molecule detection using boronic acid substituted probes STT3B, DDOST, STT3A MAPT 3249/4885CYP1A2 2851/4885RGS12 1452/4885

“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.