SCHEMBL1770299

SCHEMBL1770299

CCOC(=O)[C@H]1CC(F)(F)CC[C@H]1N

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
PPM1B O75688 1/20 0.33
PTPN1 P18031 1/20 0.33
PPP1CC P36873 1/20 0.33
ALDH1A1 P00352 4/20 0.32
PKM P14618 1/20 0.32
SMYD3 Q9H7B4 1/20 0.32

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
SCHEMBL21611380 0.88 MAPT (0.35) MAPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL21611385 0.88 MAPT (0.35) MAPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL21611382 0.88 MAPT (0.35) MAPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL17802901 0.83 MAPT (0.36) MAPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL8647198 0.79 MAPT (0.39) MAPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL19318890 0.79 MAPT (0.39) MAPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL17008342 0.79 MAPT (0.33) MAPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL9729278 0.78 CYP3A4 (0.37) CYP3A4CYP2D6CYP2C9CYP2C19PPM1B
SCHEMBL12156499 0.78 CYP3A4 (0.37) CYP3A4CYP2D6CYP2C9CYP2C19PPM1B
SCHEMBL9728986 0.78 CYP3A4 (0.37) CYP3A4CYP2D6CYP2C9CYP2C19PPM1B

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-20110112133-A1 DIHYDRO PYRROLOQUINOLINE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-12 US disclosed
US-20110112133-A1 DIHYDRO PYRROLOQUINOLINE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-12 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-20110112133-A1 DIHYDRO PYRROLOQUINOLINE DERIVATIVES HRH4, HRH2, BDKRB2 MAPT 4877/4885CYP3A4 1093/4885CYP2D6 1046/4885

“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.