SCHEMBL12057414

SCHEMBL12057414

CC[C@@H]1C[C@H](C)c2cc(C(F)(F)F)ccc2N1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 6/20 0.52
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ HTR2A P28223 3/20 0.43
▸ HTR2C P28335 3/20 0.43
▸ HTR2B P41595 3/20 0.43
▸ CHRNB2 P17787 2/20 0.41
▸ CHRNA4 P43681 2/20 0.41
▸ CHRNB4 P30926 1/20 0.41
▸ CHRNA3 P32297 1/20 0.41
▸ KIF11 P52732 4/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ PNMT P11086 1/20 0.35

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
SCHEMBL1058695 0.84 AR (0.40) ARCA1CA2HTR2AHTR2C
SCHEMBL30716841 0.84 AR (0.40) ARCA1CA2HTR2AHTR2C
SCHEMBL26989692 0.84 AR (0.40) ARCA1CA2HTR2AHTR2C
SCHEMBL29740491 0.84 AR (0.40) ARCA1CA2HTR2AHTR2C
SCHEMBL17504397 0.84 AR (0.40) ARCA1CA2HTR2AHTR2C
SCHEMBL26989694 0.81 AR (0.38) ARCA1CA2HTR2AHTR2C
SCHEMBL27747677 0.81 AR (0.38) ARCA1CA2HTR2AHTR2C
SCHEMBL27747739 0.81 AR (0.38) ARCA1CA2HTR2AHTR2C
SCHEMBL12057446 0.81 AR (0.46) ARCA1CA2HTR2AHTR2C
SCHEMBL6360641 0.78 HSD17B2 (0.48) ARCA1CA2CHRNB2CHRNA4

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-8084611-B2 Process for preparing tetrahydroquinoline derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-12-27 — — US disclosed
US-20090292125-A1 PROCESS FOR PREPARING TETRAHYDROQUINOLINE DERIVATIVES MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-11-26 — — 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-20090292125-A1 PROCESS FOR PREPARING TETRAHYDROQUINOLINE DERIVATIVES PCSK9, LSS, DHCR7 AR 3705/4885CA1 4848/4885CA2 4455/4885

“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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