SCHEMBL9065009

SCHEMBL9065009

CC[C@H]1CCc2cccc(C(F)(F)F)c2N1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 4/20 0.49
▸ PNMT P11086 1/20 0.37
▸ SLC6A2 P23975 2/20 0.35
▸ SLC6A4 P31645 2/20 0.35
▸ MTNR1A P48039 3/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ HSPA1A P0DMV8 1/20 0.34
▸ HSPA8 P11142 1/20 0.34
▸ PTPN7 P35236 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ PARP1 P09874 1/20 0.33
▸ HTR2A P28223 2/20 0.33
▸ HTR2C P28335 2/20 0.33
▸ HRH1 P35367 1/20 0.33
▸ HTR2B P41595 1/20 0.33

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
SCHEMBL10840787 0.80 AR (0.43) ARPNMTMEN1HSPA1AHSPA8
SCHEMBL10841335 0.77 AHR (0.37) ARPNMTMTNR1AHTR2CHTR2B
SCHEMBL1735444 0.71 AR (0.40) ARPNMTMEN1HSPA1AHSPA8
SCHEMBL1735572 0.71 CES1 (0.43) ARMEN1KMT2APARP1HTR2A
SCHEMBL20870486 0.69 MTNR1A (0.60) ARMTNR1A
SCHEMBL29659962 0.69 MTNR1A (0.60) ARMTNR1A
SCHEMBL29659944 0.69 MTNR1A (0.60) ARMTNR1A
SCHEMBL22262591 0.69 MTNR1A (0.60) ARMTNR1A
SCHEMBL4139663 0.69 MTNR1A (0.60) ARMTNR1A
SCHEMBL10840792 0.69 KDM4E (0.39) ARPNMTMTNR1AMEN1KMT2A

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 1547/4885PNMT 1061/4885SLC6A2 3503/4885

“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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