SCHEMBL13645920

SCHEMBL13645920

C=C(C)c1cccc(C2CCNCC2)c1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.58
SLC18A3 Q16572 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
QDPR P09417 1/20 0.47
KMO O15229 1/20 0.44
TLR2 O60603 2/20 0.42
HTR6 P50406 1/20 0.40

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 SCHEMBL3864816 0.98 HTR2C (0.59) HTR2CSLC18A3SIGMAR1QDPRKMO
SCHEMBL12577717 0.84 HTR2C (0.58) HTR2CSLC18A3SIGMAR1QDPRKMO
SCHEMBL1633310 0.79 KMO (0.71) HTR2CSLC18A3SIGMAR1QDPRKMO
SCHEMBL30004901 0.77 PARP1 (0.55) HTR2CSLC18A3SIGMAR1QDPRKMO
SCHEMBL1668686 0.77 HTR2C (0.54) HTR2CSLC18A3SIGMAR1QDPRKMO
Hydrochloric Acid SCHEMBL6709116 0.77 KMO (0.69) HTR2CSLC18A3SIGMAR1QDPRKMO
SCHEMBL233530 0.77 HTR2C (0.57) HTR2CSLC18A3SIGMAR1QDPRKMO
SCHEMBL30488777 0.77 HTR2C (0.57) HTR2CSLC18A3SIGMAR1QDPRKMO
SCHEMBL30945941 0.77 HTR2C (0.54) HTR2CSLC18A3SIGMAR1QDPRKMO
SCHEMBL31706124 0.77 HTR2C (0.57) HTR2CSLC18A3SIGMAR1QDPRKMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2007133362-A1 MODIFIED MEMBRANE DOW GLOBAL TECHNOLOGIES INC. (US) 2007-11-22 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 (1 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-20080081803-A1 Heterocyclic cyclopentyl tetrahydroisoquinoline and tetrahydropyridopyridine modulators of chemokine receptor activity CCR1, CCR5, CCR2 HTR2C 442/4885SLC18A3 2079/4885SIGMAR1 786/4885

“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.