SCHEMBL9064740

SCHEMBL9064740

CC[C@H]1CCc2ccc(C(F)(F)F)cc2N1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 4/20 0.50
▸ HTR2A P28223 3/20 0.41
▸ HTR2C P28335 3/20 0.41
▸ HTR2B P41595 3/20 0.41
▸ PNMT P11086 4/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ MTNR1A P48039 3/20 0.37
▸ PARP1 P09874 1/20 0.37
▸ PARP10 Q53GL7 1/20 0.37

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
SCHEMBL27654170 0.90 AR (0.52) ARHTR2AHTR2CHTR2BPNMT
SCHEMBL30738393 0.90 AR (0.52) ARHTR2AHTR2CHTR2BPNMT
SCHEMBL6754125 0.80 AR (0.46) ARHTR2AHTR2CHTR2BMTNR1A
SCHEMBL6754129 0.80 AR (0.46) ARHTR2AHTR2CHTR2BMTNR1A
SCHEMBL6754126 0.80 AR (0.46) ARHTR2AHTR2CHTR2BMTNR1A
Ethoxycarbonyl Group SCHEMBL29291835 0.79 AR (0.46) ARMTNR1A
SCHEMBL5790945 0.76 MEN1 (0.41) ARHTR2AHTR2CHTR2B
SCHEMBL22297852 0.76 AR (0.44) ARPNMTMTNR1A
SCHEMBL5790950 0.76 MEN1 (0.41) ARHTR2AHTR2CHTR2B
SCHEMBL6752929 0.75 AR (0.40) ARHTR2AHTR2CHTR2BPNMT

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-8188307-B2 Method for producing an optically active tetrahydroquinoline TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-05-29 — — US disclosed
US-20100036149-A1 METHOD FOR PRODUCING AN OPTICALLY ACTIVE TETRAHYDROQUINOLINE TAKASAGO INTERNATIONAL COPORATION (JP) 2010-02-11 — — 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-20100036149-A1 METHOD FOR PRODUCING AN OPTICALLY ACTIVE TETRAHYDROQUINOLINE AADAT, KMO, ALDH7A1 AR 1547/4885HTR2A 1845/4885HTR2C 1153/4885

“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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