SCHEMBL3867583

SCHEMBL3867583

COC(=O)c1cc(C2CCNCC2)ccc1F

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 1/20 0.50
TLR8 Q9NR97 1/20 0.50
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
QDPR P09417 1/20 0.45
HTR2C P28335 6/20 0.44
PLAT P00750 2/20 0.43
P2RX7 Q99572 1/20 0.41
TP53 P04637 1/20 0.39

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
Hydrochloric Acid SCHEMBL3167799 0.99 TLR9 (0.49) TLR9TLR8ALDH1A1HPGDTSHR
SCHEMBL18640659 0.90 TSHR (0.50) TLR9TLR8ALDH1A1HPGDTSHR
Tert-Butyl Formate SCHEMBL27635000 0.89 TLR9 (0.43) TLR9TLR8ALDH1A1HPGDTSHR
SCHEMBL31584022 0.89 TLR9 (0.50) TLR9TLR8QDPRHTR2CPLAT
Hydrochloric Acid SCHEMBL31583580 0.88 TLR9 (0.49) TLR9TLR8QDPRHTR2CPLAT
SCHEMBL22334472 0.86 ACMSD (0.50) ALDH1A1HPGDTSHRHSD17B10
SCHEMBL13645913 0.83 HTR2C (0.48) TLR9TLR8QDPRHTR2CPLAT
SCHEMBL13406397 0.82 ACMSD (0.50) QDPRHTR2CP2RX7
Hydrochloric Acid SCHEMBL3861515 0.82 HTR2C (0.49) TLR9TLR8QDPRHTR2CPLAT
SCHEMBL13406256 0.82 QDPR (0.50) ALDH1A1HPGDTSHRHSD17B10QDPR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3297438-B1 CCR2 MODULATORS CHEMOCENTRYX INC (US) 2021-10-20 EP disclosed
US-20180086756-A1 SUBSTITUTED TETRAHYDROPYRANS AS CCR2 MODULATORS CHEMOCENTRYX, INC. 2018-03-29 US disclosed
US-9783540-B2 Substituted tetrahydropyrans as CCR2 modulators CHEMOCENTRYX, INC. (US) 2017-10-10 US disclosed
WO-2016187393-A1 CCR2 MODULATORS CHEMOCENTRYX, INC. (US) 2016-11-24 WO disclosed
US-20160340356-A1 CCR2 MODULATORS CHEMOCENTRYX, INC. 2016-11-24 US disclosed
US-7700591-B2 Benzoxazinyl-amidocyclopentyl-heterocyclic modulators of chemokine receptors MERCK & CO., INC. (US) 2010-04-20 US disclosed
US-7700591-B2 Benzoxazinyl-amidocyclopentyl-heterocyclic modulators of chemokine receptors MERCK & CO., INC. (US) 2010-04-20 US disclosed
EP-1615699-B1 BENZOXAZINYL-AMIDOCYCLOPENTYL-HETEROCYCLIC MODULATORS OF CHEMOKINE RECEPTORS MERCK SHARP & DOHME (US) 2010-03-24 EP 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-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-20080081803-A1 Heterocyclic cyclopentyl tetrahydroisoquinoline and tetrahydropyridopyridine modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. 2008-04-03 US disclosed
US-20080081803-A1 Heterocyclic cyclopentyl tetrahydroisoquinoline and tetrahydropyridopyridine modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. 2008-04-03 US disclosed
US-20080081803-A1 Heterocyclic cyclopentyl tetrahydroisoquinoline and tetrahydropyridopyridine modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. 2008-04-03 US disclosed
US-20070238723-A1 Benzoxazinyl-amidocyclopentyl-heterocyclic modulators of chemokine receptors GOBLE STEPHEN D 2007-10-11 US disclosed
US-20070238723-A1 Benzoxazinyl-amidocyclopentyl-heterocyclic modulators of chemokine receptors GOBLE STEPHEN D 2007-10-11 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 (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-20180086756-A1 SUBSTITUTED TETRAHYDROPYRANS AS CCR2 MODULATORS CCR2, CCR1, CCR5 TLR9 227/4885TLR8 294/4885ALDH1A1 1316/4885
US-20080081803-A1 Heterocyclic cyclopentyl tetrahydroisoquinoline and tetrahydropyridopyridine modulators of chemokine receptor activity CCR1, CCR5, CCR2 TLR9 155/4885TLR8 926/4885ALDH1A1 2646/4885
US-20070238723-A1 Benzoxazinyl-amidocyclopentyl-heterocyclic modulators of chemokine receptors CCR1, CCR2, CCRL2 TLR9 73/4885TLR8 93/4885ALDH1A1 2799/4885
US-20160340356-A1 CCR2 MODULATORS CCR2, CCR1, CCR5 TLR9 243/4885TLR8 346/4885ALDH1A1 1533/4885

“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.