SCHEMBL1780216

SCHEMBL1780216

OCc1ccc(C2CCC(C(F)(F)F)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 11/20 0.42
ESR1 P03372 6/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2D6 P10635 1/20 0.37
HTR2C P28335 2/20 0.36
SPHK1 Q9NYA1 4/20 0.35
TRPV3 Q8NET8 1/20 0.34
TBK1 Q9UHD2 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
SCHEMBL1781540 1.00 ESR2 (0.42) ESR2ESR1CYP3A4CYP2C9CYP2D6
SCHEMBL1780215 1.00 ESR2 (0.42) ESR2ESR1CYP3A4CYP2C9CYP2D6
SCHEMBL742590 0.84 ESR2 (0.52) ESR2ESR1CYP3A4CYP2C9CYP2D6
SCHEMBL1787869 0.82 HTR2C (0.36) ESR2ESR1CYP3A4CYP2C9HTR2C
SCHEMBL1787872 0.82 HTR2C (0.36) ESR2ESR1CYP3A4CYP2C9HTR2C
SCHEMBL12603782 0.82 SPHK1 (0.41) ESR2CYP2C9HTR2CSPHK1
SCHEMBL12603843 0.82 SPHK1 (0.41) ESR2CYP2C9HTR2CSPHK1
SCHEMBL1787895 0.82 HTR2C (0.36) ESR2ESR1CYP3A4CYP2C9HTR2C
SCHEMBL15437191 0.82 HTR2C (0.36) ESR2ESR1CYP3A4CYP2C9CYP2D6
SCHEMBL15437190 0.82 HTR2C (0.36) ESR2ESR1CYP3A4CYP2C9CYP2D6

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 15 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
EP-2197551-B1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME (US) 2016-12-28 EP disclosed
EP-2875003-B1 NEW 5-AMINOTETRAHYDROQUINOLINE-2-CARBOXYLIC ACIDS UND THEIR USE Bayer Pharma AG (DE) 2016-11-16 EP disclosed
WO-2015095515-A1 SGC ACTIVATORS FOR THE TREATMENT OF GLAUCOMA NOVARTIS AG (CH) 2015-06-25 WO disclosed
US-20150148376-A1 NOVEL 5-AMINOTETRAHYDROQUINOLINE-2-CARBOXYLIC ACIDS AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-05-28 US disclosed
EP-2875003-A1 NOVEL 5-AMINOTETRAHYDROQUINOLINE-2-CARBOXYLIC ACIDS AND USE THEREOF Bayer Pharma Aktiengesellschaft (DE) 2015-05-27 EP 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
WO-2014012934-A1 NOVEL 5-AMINOTETRAHYDROQUINOLINE-2-CARBOXYLIC ACIDS AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-01-23 WO disclosed
US-8455638-B2 Soluble guanylate cyclase activators MERCK SHARP & DOHME CORP. (US) 2013-06-04 US disclosed
US-20110118282-A1 Soluble Guanylate Cyclase Activators MERCK SHARP & DOHME LLC 2011-05-19 US disclosed
CN-101939053-A Soluble guanylate cyclase activators MERCK SHARP & DOHME 2011-01-05 CN disclosed
US-20090209556-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. 2009-08-20 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 (6 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 ESR2 1818/4885ESR1 4186/4885CYP3A4 684/4885
US-10053428-B2 5-aminotetrahydroquinoline-2-carboxylic acids and their use TNNT2, TNNI3, FABP3 ESR2 1595/4885ESR1 3999/4885CYP3A4 574/4885
US-20170260139-A1 NOVEL 5-AMINOTETRAHYDROQUINOLINE-2-CARBOXYLIC ACIDS AND THEIR USE TNNT2, TNNI3, FABP3 ESR2 1818/4885ESR1 4186/4885CYP3A4 684/4885
US-20150148376-A1 NOVEL 5-AMINOTETRAHYDROQUINOLINE-2-CARBOXYLIC ACIDS AND THEIR USE TNNT2, TNNI3, FABP3 ESR2 1818/4885ESR1 4186/4885CYP3A4 684/4885
US-20110118282-A1 Soluble Guanylate Cyclase Activators GUCY1B1, GUCY1A2, GUCY1A1 ESR2 823/4885ESR1 932/4885CYP3A4 3506/4885
US-20090209556-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS GUCY1B1, GUCY1A2, GUCY1A1 ESR2 823/4885ESR1 932/4885CYP3A4 3506/4885

“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.