SCHEMBL4034093

SCHEMBL4034093

CCC(=O)N1CCC(c2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
POLB P06746 1/20 0.57
BLM P54132 1/20 0.57
EPHX2 P34913 2/20 0.56
HRH3 Q9Y5N1 2/20 0.56
KCNH2 Q12809 1/20 0.56
RIPK1 Q13546 1/20 0.55
DRD2 P14416 1/20 0.54
SLC18A3 Q16572 2/20 0.51
MEN1 O00255 1/20 0.51
TSHR P16473 1/20 0.51
HTT P42858 1/20 0.51
KMT2A Q03164 1/20 0.51
RAB9A P51151 2/20 0.51
LMNA P02545 1/20 0.51
NPC1 O15118 1/20 0.51
MAPT P10636 1/20 0.51
STAT1 P42224 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NAMPT P43490 1/20 0.51

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
SCHEMBL12447346 0.90 ALDH1A1 (0.71) ALDH1A1POLBMEN1HTTKMT2A
SCHEMBL12447962 0.90 ALDH1A1 (0.71) ALDH1A1POLBMEN1HTTKMT2A
SCHEMBL4198757 0.87 NAMPT (0.65) ALDH1A1POLBHRH3KCNH2DRD2
SCHEMBL6245254 0.86 NAMPT (0.64) ALDH1A1POLBHRH3KCNH2DRD2
SCHEMBL15692311 0.85 EPHX2 (0.57) ALDH1A1EPHX2DRD2SLC18A3MEN1
SCHEMBL19097366 0.85 EPHX2 (0.57) EPHX2NAMPT
SCHEMBL17787758 0.85 ALDH1A1 (0.59) ALDH1A1POLBHRH3KCNH2SLC18A3
SCHEMBL27694896 0.84 EPHX2 (0.44) ALDH1A1POLBBLMEPHX2RIPK1
SCHEMBL22300553 0.84 LMNA (0.53) EPHX2HRH3RIPK1LMNANAMPT
SCHEMBL27957954 0.84 EPHX2 (0.58) ALDH1A1POLBEPHX2MEN1HTT

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-20220098214-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATING FIBROSIS YALE UNIVERSITY 2022-03-31 US disclosed
US-10258603-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-04-16 US disclosed
US-10053428-B2 5-aminotetrahydroquinoline-2-carboxylic acids and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-08-21 US disclosed
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 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-2875003-B1 NEW 5-AMINOTETRAHYDROQUINOLINE-2-CARBOXYLIC ACIDS UND THEIR USE Bayer Pharma AG (DE) 2016-11-16 EP 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
US-20130177529-A1 Pyrazole Compounds VIVOQUEST, INC. 2013-07-11 US disclosed
US-8329703-B2 Pyrazole compounds XTL BIOPHARMACEUTICALS LTD. (IL) 2012-12-11 US disclosed
EP-1501467-A4 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL MYERS SQUIBB CO (US) 2009-08-19 EP disclosed
EP-1501467-A2 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION Bristol-Myers Squibb Company (US) 2005-02-02 EP disclosed
WO-2003088908-A2 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2003-10-30 WO 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 (8 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 ALDH1A1 679/4885POLB 3364/4885BLM 796/4885
US-20130177529-A1 Pyrazole Compounds MAVS, EIF2AK2, ZC3HAV1 ALDH1A1 1769/4885POLB 579/4885BLM 1854/4885
US-10053428-B2 5-aminotetrahydroquinoline-2-carboxylic acids and their use TNNT2, TNNI3, FABP3 ALDH1A1 684/4885POLB 2571/4885BLM 638/4885
US-20170260139-A1 NOVEL 5-AMINOTETRAHYDROQUINOLINE-2-CARBOXYLIC ACIDS AND THEIR USE TNNT2, TNNI3, FABP3 ALDH1A1 679/4885POLB 3364/4885BLM 796/4885
US-20150148376-A1 NOVEL 5-AMINOTETRAHYDROQUINOLINE-2-CARBOXYLIC ACIDS AND THEIR USE TNNT2, TNNI3, FABP3 ALDH1A1 679/4885POLB 3364/4885BLM 796/4885
US-20220098214-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATING FIBROSIS DUSP5, DUSP4, DUSP6 ALDH1A1 1762/4885POLB 3424/4885BLM 1026/4885
US-10258603-B2 Therapeutic compounds and uses thereof BRD4, BRDT, BRD3 ALDH1A1 1563/4885POLB 1307/4885BLM 365/4885
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 ALDH1A1 1563/4885POLB 1307/4885BLM 365/4885

“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.