SCHEMBL5553483

SCHEMBL5553483

O=C(NCCc1ccc(C(F)(F)F)cc1)C(F)(F)F

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLAAT3 P53816 1/20 0.58
PLAAT5 Q96KN8 1/20 0.58
PLAAT2 Q9NWW9 1/20 0.58
PLAAT4 Q9UL19 1/20 0.58
CNR1 P21554 1/20 0.57
LTA4H P09960 1/20 0.53
EPHX2 P34913 1/20 0.53
HDAC1 Q13547 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MLYCD O95822 1/20 0.48
TAAR1 Q96RJ0 1/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL14100869 0.87 ESRRG (0.61) CNR1EPHX2
SCHEMBL4179064 0.84 HPGD (0.57) PLAAT3PLAAT5PLAAT2PLAAT4CNR1
SCHEMBL6433557 0.84 KDM4E (0.61) PLAAT3PLAAT5PLAAT2PLAAT4MEN1
SCHEMBL2771700 0.84 PLAAT3 (0.64) PLAAT3PLAAT5PLAAT2PLAAT4CNR1
SCHEMBL4702861 0.83 ALDH1A1 (0.47) PLAAT3PLAAT5PLAAT2PLAAT4HDAC1
SCHEMBL14141265 0.83 NPC1 (0.59) PLAAT3PLAAT5PLAAT2PLAAT4CNR1
SCHEMBL1094537 0.83 CNR1 (0.57) PLAAT3PLAAT5PLAAT2PLAAT4CNR1
SCHEMBL419646 0.83 CNR1 (0.50) PLAAT3PLAAT5PLAAT2PLAAT4CNR1
SCHEMBL4700346 0.83 ESRRG (0.54) MEN1KMT2AMLYCDALDH1A1POLB
SCHEMBL6275214 0.83 SMN1; SMN2 (0.47) PLAAT3PLAAT5PLAAT2PLAAT4HDAC1

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112457245-B Synthesis method of 7- (trifluoromethyl) isoquinoline-5-amine 苏州康润医药有限公司 2022-11-22 CN claimed
WO-2019044940-A1 CYCLIC AMINE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES 東レ株式会社 2019-03-07 WO disclosed
US-7700772-B2 Amino heterocyclic modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. (US) 2010-04-20 US disclosed
US-7700772-B2 Amino heterocyclic modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. (US) 2010-04-20 US disclosed
US-7598243-B2 inhibit atherosclerotic lesion formation and pathological progression by impairing monocyte recruitment and differentiation in the arterial wall; antiinflammatory, anticarcinogenic agent; autoimmune diseases MERCK & CO., INC. (US) 2009-10-06 US disclosed
US-7598243-B2 inhibit atherosclerotic lesion formation and pathological progression by impairing monocyte recruitment and differentiation in the arterial wall; antiinflammatory, anticarcinogenic agent; autoimmune diseases MERCK & CO., INC. (US) 2009-10-06 US disclosed
US-7557120-B2 Aminocyclopentyl fused heterotricylicamide modulators of chemokine receptor activity MERCK & CO., INC. (US) 2009-07-07 US disclosed
US-7557120-B2 Aminocyclopentyl fused heterotricylicamide modulators of chemokine receptor activity MERCK & CO., INC. (US) 2009-07-07 US disclosed
US-7557124-B2 Tetrahydropyranyl cyclopentyl tetrahydropyridopyridine modulators of chemokine receptor activity MERCK & CO., INC. (US) 2009-07-07 US disclosed
US-7557124-B2 Tetrahydropyranyl cyclopentyl tetrahydropyridopyridine modulators of chemokine receptor activity MERCK & CO., INC. (US) 2009-07-07 US disclosed
US-7166614-B2 Tetrahydropyranyl cyclopentyl tetrahydroisoquinoline modulators of chemokine receptor activity MERCK & CO., INC. (US) 2007-01-23 US disclosed
US-7166614-B2 Tetrahydropyranyl cyclopentyl tetrahydroisoquinoline modulators of chemokine receptor activity MERCK & CO., INC. (US) 2007-01-23 US disclosed
US-20070004714-A1 Aminocyclopentyl fused heterotricylicamide modulators of chemokine receptor activity MERCK & CO., INC. (US) 2007-01-04 US disclosed
US-20070004714-A1 Aminocyclopentyl fused heterotricylicamide modulators of chemokine receptor activity MERCK & CO., INC. (US) 2007-01-04 US disclosed
US-20050267146-A1 3-(4-Heteroarylcyclohexylamino)cyclopentanecarboxamides as modulators of chemokine receptors INCYTE CORPORATION 2005-12-01 US disclosed
US-6602867-B1 Triazole compounds with dopamine-D3-receptor affinity ABBOTT LABORATORIES 2003-08-05 US disclosed
EP-0917530-B1 TETRAHYDROISOQUINOLINE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS SMITHKLINE BEECHAM PLC (GB) 2003-02-19 EP disclosed
US-6046210-A ANTIPSYCHOTIC AGENTS SMITHKLINE BEECHAM P.L.C. (GB) 2000-04-04 US disclosed
EP-0917530-A1 TETRAHYDROISOQUINOLINE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS SMITHKLINE BEECHAM PLC (GB) 1999-05-26 EP disclosed
WO-1997043262-A1 TETRAHYDROISOQUINOLINE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS SMITHKLINE BEECHAM P.L.C. (GB) 1997-11-20 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 (2 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-20050267146-A1 3-(4-Heteroarylcyclohexylamino)cyclopentanecarboxamides as modulators of chemokine receptors CCR5, CXCR3, CCR2 PLAAT3 534/4885PLAAT5 1255/4885PLAAT2 1380/4885
US-20070004714-A1 Aminocyclopentyl fused heterotricylicamide modulators of chemokine receptor activity CCR2, CCR1, CCR8 PLAAT3 3547/4885PLAAT5 3517/4885PLAAT2 3039/4885

“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.