SCHEMBL15329360

SCHEMBL15329360

COc1ccc(CN2CC(C)N(N)C(C)C2)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 1/20 0.56
SIGMAR1 Q99720 3/20 0.53
SMN1; SMN2 Q16637 1/20 0.51
PTGIR P43119 1/20 0.48
DRD4 P21917 1/20 0.47
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
ALOX15 P16050 1/20 0.45
CMA1 P23946 1/20 0.45
GRM2 Q14416 1/20 0.45
CHKA P35790 1/20 0.44

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
SCHEMBL17304807 0.82 SIGMAR1 (0.54) HRH2SIGMAR1SMN1; SMN2PTGIRDRD4
SCHEMBL19502865 0.82 SIGMAR1 (0.54) HRH2SIGMAR1SMN1; SMN2PTGIRDRD4
SCHEMBL13547217 0.79 SIGMAR1 (0.63) HRH2SIGMAR1SMN1; SMN2PTGIRDRD4
SCHEMBL2918073 0.78 SIGMAR1 (0.57) HRH2SIGMAR1SMN1; SMN2PTGIRDRD4
SCHEMBL2916777 0.78 DRD4 (0.57) HRH2SIGMAR1SMN1; SMN2PTGIRDRD4
SCHEMBL18205232 0.78 SIGMAR1 (0.57) HRH2SIGMAR1SMN1; SMN2PTGIRDRD4
SCHEMBL1920304 0.77 CMA1 (0.53) HRH2SIGMAR1SMN1; SMN2PTGIRDRD4
SCHEMBL733605 0.77 CMA1 (0.53) HRH2SIGMAR1SMN1; SMN2PTGIRDRD4
SCHEMBL1920302 0.77 CMA1 (0.53) HRH2SIGMAR1SMN1; SMN2PTGIRDRD4
SCHEMBL1920307 0.77 CMA1 (0.53) HRH2SIGMAR1SMN1; SMN2PTGIRDRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9616051-B2 Drug targets to overcome de novo drug-resistance in multiple myeloma H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2017-04-11 US disclosed
US-9616051-B2 Drug targets to overcome de novo drug-resistance in multiple myeloma H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2017-04-11 US disclosed
US-9616051-B2 Drug targets to overcome de novo drug-resistance in multiple myeloma H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2017-04-11 US disclosed
US-20130281389-A1 NOVEL DRUG TARGETS TO OVERCOME DE NOVO DRUG-RESISTANCE IN MULTIPLE MYELOMA H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2013-10-24 US disclosed
US-20130281389-A1 NOVEL DRUG TARGETS TO OVERCOME DE NOVO DRUG-RESISTANCE IN MULTIPLE MYELOMA H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2013-10-24 US disclosed
US-20130281389-A1 NOVEL DRUG TARGETS TO OVERCOME DE NOVO DRUG-RESISTANCE IN MULTIPLE MYELOMA H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2013-10-24 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-20130281389-A1 NOVEL DRUG TARGETS TO OVERCOME DE NOVO DRUG-RESISTANCE IN MULTIPLE MYELOMA XPO1, XPOT, DDB1 HRH2 4489/4885SIGMAR1 1879/4885SMN1; SMN2 2173/4885

“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.