SCHEMBL3504249

SCHEMBL3504249

NC[C@@H]1CCCN1CC1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 2/20 0.43
ADRA2C P18825 1/20 0.43
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM1 P11229 1/20 0.39
ACHE P22303 1/20 0.38
GBA1 P04062 1/20 0.36
RORC P51449 1/20 0.34
GRM2 Q14416 1/20 0.34
ATM Q13315 2/20 0.34
HRH3 Q9Y5N1 1/20 0.33
POLB P06746 1/20 0.33
SIGMAR1 Q99720 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP2B6 P20813 1/20 0.32

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
SCHEMBL10722386 1.00 CHRM5 (0.43) CHRM5ADRA2CCHRM2CHRM4CHRM1
SCHEMBL4586403 1.00 CHRM5 (0.43) CHRM5ADRA2CCHRM2CHRM4CHRM1
SCHEMBL11537690 0.98 CHRM5 (0.40) CHRM5ADRA2CCHRM2CHRM4CHRM1
SCHEMBL10563375 0.98 CHRM5 (0.40) CHRM5ADRA2CCHRM2CHRM4CHRM1
SCHEMBL3544392 0.92 HTT (0.33) CHRM5ADRA2CGBA1
SCHEMBL3934463 0.92 HTT (0.33) CHRM5ADRA2CGBA1
SCHEMBL7026183 0.92 HTT (0.33) CHRM5ADRA2CGBA1
SCHEMBL7022671 0.90 CHRM5 (0.40) CHRM5ADRA2CCHRM2CHRM4CHRM1
SCHEMBL10569368 0.81 SIGMAR1 (0.38) CHRM5ADRA2CSIGMAR1MEN1KMT2A
SCHEMBL9893069 0.80 CHRM5 (0.43) CHRM5ADRA2CCHRM2CHRM4CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100247540-A1 Methods and Compositions For Modulating Angiogenesis CHEMOCENTRYX, INC. (US) 2010-09-30 US disclosed
US-20100247540-A1 Methods and Compositions For Modulating Angiogenesis CHEMOCENTRYX, INC. (US) 2010-09-30 US disclosed
US-20100247540-A1 Methods and Compositions For Modulating Angiogenesis CHEMOCENTRYX, INC. (US) 2010-09-30 US disclosed
US-20100144720-A1 INHIBITORS OF HUMAN TUMOR-EXPRESSED CCXCKR2 CHEMOCENTRYX, INC. (US) 2010-06-10 US disclosed
US-7649011-B2 Active against cancer proliferation, growth, and metastasis; such as 3,4,5-trimethoxy-n-(2-methyl-3-phenyl-allyl)-n-[2-(1-methyl-pyrrolidin-2-yl)-thyl]-benzamide; side effect reduction CHEMOCENTRYX, INC. (US) 2010-01-19 US disclosed
US-7417062-B2 e.g. N (S)-(1-Cyclohexylmethyl-pyrrolidine-2-ylmethyl)-3,4-dimethoxy-N-naphthalen-2-ylmethyl-benzamide; inhibit the binding of the SDF-1 (CXCL12) chemokine or I-TAC (CXCL11) to the chemokine receptor CCXCKR2; anticarcinogenic agent; breast, lymph nodes, bone marrow, and lungs cancer CHEMOCENTRYX, INC. (US) 2008-08-26 US disclosed
US-7417062-B2 e.g. N (S)-(1-Cyclohexylmethyl-pyrrolidine-2-ylmethyl)-3,4-dimethoxy-N-naphthalen-2-ylmethyl-benzamide; inhibit the binding of the SDF-1 (CXCL12) chemokine or I-TAC (CXCL11) to the chemokine receptor CCXCKR2; anticarcinogenic agent; breast, lymph nodes, bone marrow, and lungs cancer CHEMOCENTRYX, INC. (US) 2008-08-26 US disclosed
US-7417062-B2 e.g. N (S)-(1-Cyclohexylmethyl-pyrrolidine-2-ylmethyl)-3,4-dimethoxy-N-naphthalen-2-ylmethyl-benzamide; inhibit the binding of the SDF-1 (CXCL12) chemokine or I-TAC (CXCL11) to the chemokine receptor CCXCKR2; anticarcinogenic agent; breast, lymph nodes, bone marrow, and lungs cancer CHEMOCENTRYX, INC. (US) 2008-08-26 US disclosed
EP-1715892-A4 METHODS AND COMPOSITIONS FOR MODULATING ANGIOGENESIS CHEMOCENTRYX INC (US) 2008-07-09 EP disclosed
EP-1715892-A2 METHODS AND COMPOSITIONS FOR MODULATING ANGIOGENESIS ChemoCentryx Inc (US) 2006-11-02 EP disclosed
WO-2006038989-A1 SUBSTITUTED ARYLAMIDES CHEMOCENTRYX, INC. (US) 2006-04-13 WO disclosed
US-20060074071-A1 Substituted arylamides CHEMOCENTRYX, INC. (US) 2006-04-06 US disclosed
US-20050214287-A1 Methods and compositions for modulating angiogenesis CHEMOCENTRYX, INC. (US) 2005-09-29 US disclosed
WO-2005074645-A2 METHODS AND COMPOSITIONS FOR MODULATING ANGIOGENESIS CHEMOCENTRYX, INC. (US) 2005-08-18 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 (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-20060074071-A1 Substituted arylamides AADAC, BRDT, BRPF3 CHRM5 4857/4885ADRA2C 2849/4885CHRM2 4861/4885
US-20050214287-A1 Methods and compositions for modulating angiogenesis VEGFA, FLT4, PGF CHRM5 3466/4885ADRA2C 2435/4885CHRM2 3983/4885
US-20100144720-A1 INHIBITORS OF HUMAN TUMOR-EXPRESSED CCXCKR2 CCL2, CCR2, CXCR2 CHRM5 4181/4885ADRA2C 1003/4885CHRM2 3407/4885
US-20100247540-A1 Methods and Compositions For Modulating Angiogenesis VEGFA, FLT4, PGF CHRM5 3466/4885ADRA2C 2435/4885CHRM2 3983/4885

“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.