SCHEMBL13646209

SCHEMBL13646209

OC1(c2cnccn2)CCNCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.39
DRD2 P14416 1/20 0.38
CHRNB2 P17787 2/20 0.36
CHRNA4 P43681 2/20 0.36
NISCH Q9Y2I1 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32
TSHR P16473 2/20 0.32
SYK P43405 1/20 0.32
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
VNN1 O95497 2/20 0.31
CCNT1 O60563 1/20 0.31
CDK9 P50750 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NAPRT Q6XQN6 1/20 0.31

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
SCHEMBL171507 0.74 OPRM1 (0.53) PIM1DRD2SIGMAR1ALDH1A1HPGD
SCHEMBL29602661 0.74 OPRM1 (0.53) PIM1DRD2SIGMAR1ALDH1A1HPGD
SCHEMBL23508953 0.74 PTPN11 (0.40) CHRNB2CHRNA4NISCHALDH1A1HPGD
SCHEMBL13978322 0.74 VNN1 (0.34) CHRNB2CHRNA4NISCHALDH1A1HPGD
Hydrochloric Acid SCHEMBL30305364 0.73 OPRM1 (0.51) PIM1DRD2SIGMAR1ALDH1A1HPGD
Hydrochloric Acid SCHEMBL2224231 0.73 OPRM1 (0.51) PIM1DRD2SIGMAR1ALDH1A1HPGD
Hydrochloric Acid SCHEMBL20744290 0.73 OPRM1 (0.51) PIM1DRD2SIGMAR1ALDH1A1HPGD
SCHEMBL13646212 0.73 DRD2 (0.41) PIM1DRD2CHRNB2CHRNA4SIGMAR1
SCHEMBL20754036 0.71 KDM4E (0.44) PIM1DRD2CHRNB2CHRNA4SIGMAR1
SCHEMBL14936525 0.70 CHRNB2 (0.34) CHRNB2CHRNA4

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 4 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

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 PIM1 4081/4885DRD2 179/4885CHRNB2 490/4885

“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.