SCHEMBL15437191

SCHEMBL15437191

FC(F)(F)C1CCC(c2ccc(CBr)cc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.36
ESR2 Q92731 8/20 0.35
SPHK1 Q9NYA1 3/20 0.34
ESR1 P03372 4/20 0.33
CYP2C9 P11712 3/20 0.33
CYP3A4 P08684 2/20 0.33
TRPA1 O75762 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
TBK1 Q9UHD2 1/20 0.31
TEAD1 P28347 1/20 0.31
POLB P06746 1/20 0.31
CYP2D6 P10635 1/20 0.30

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
SCHEMBL15437190 1.00 HTR2C (0.36) HTR2CESR2SPHK1ESR1CYP2C9
SCHEMBL17112798 0.84 ESR2 (0.42) ESR2SPHK1ESR1CYP2C9CYP3A4
SCHEMBL1780216 0.82 ESR2 (0.42) HTR2CESR2SPHK1ESR1CYP2C9
SCHEMBL1787869 0.82 HTR2C (0.36) HTR2CESR2SPHK1ESR1CYP2C9
SCHEMBL12603843 0.82 SPHK1 (0.41) HTR2CESR2SPHK1CYP2C9ALDH1A1
SCHEMBL12603782 0.82 SPHK1 (0.41) HTR2CESR2SPHK1CYP2C9ALDH1A1
SCHEMBL1787895 0.82 HTR2C (0.36) HTR2CESR2SPHK1ESR1CYP2C9
SCHEMBL1781540 0.82 ESR2 (0.42) HTR2CESR2SPHK1ESR1CYP2C9
SCHEMBL1787872 0.82 HTR2C (0.36) HTR2CESR2SPHK1ESR1CYP2C9
SCHEMBL12603781 0.82 SPHK1 (0.41) HTR2CESR2SPHK1CYP2C9ALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10053428-B2 5-aminotetrahydroquinoline-2-carboxylic acids and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-08-21 US disclosed
US-20170260139-A1 NOVEL 5-AMINOTETRAHYDROQUINOLINE-2-CARBOXYLIC ACIDS AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-09-14 US disclosed
US-9688636-B2 5-aminotetrahydroquinoline-2-carboxylic acids and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-06-27 US disclosed
CN-104822661-B Carboxylic acid of 5 amino tetrahydroquinoline 2 and application thereof 拜耳药业股份公司 2017-05-31 CN disclosed
US-20150148376-A1 NOVEL 5-AMINOTETRAHYDROQUINOLINE-2-CARBOXYLIC ACIDS AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-05-28 US disclosed
US-8981104-B2 5-aminotetrahydroquinoline-2-carboxylic acids and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-03-17 US disclosed
US-20140031391-A1 Novel 5-aminotetrahydroquinoline-2-carboxylic acids and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-01-30 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 (4 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-20140031391-A1 Novel 5-aminotetrahydroquinoline-2-carboxylic acids and their use TNNT2, TNNI3, FABP3 HTR2C 432/4885ESR2 1818/4885SPHK1 3493/4885
US-10053428-B2 5-aminotetrahydroquinoline-2-carboxylic acids and their use TNNT2, TNNI3, FABP3 HTR2C 393/4885ESR2 1595/4885SPHK1 3430/4885
US-20170260139-A1 NOVEL 5-AMINOTETRAHYDROQUINOLINE-2-CARBOXYLIC ACIDS AND THEIR USE TNNT2, TNNI3, FABP3 HTR2C 432/4885ESR2 1818/4885SPHK1 3493/4885
US-20150148376-A1 NOVEL 5-AMINOTETRAHYDROQUINOLINE-2-CARBOXYLIC ACIDS AND THEIR USE TNNT2, TNNI3, FABP3 HTR2C 432/4885ESR2 1818/4885SPHK1 3493/4885

“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.