SCHEMBL15329166

SCHEMBL15329166

c1c[nH]c(CN2CCN(Cc3ncc[nH]3)CC2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 1.00
HTR1D P28221 1/20 0.45
HTR1B P28222 1/20 0.45
TAAR1 Q96RJ0 4/20 0.42
EGLN1 Q9GZT9 1/20 0.41
PARP1 P09874 1/20 0.40
TERT O14746 1/20 0.40
DRD4 P21917 3/20 0.40
KAT2B Q92831 1/20 0.39
ALDH1A1 P00352 3/20 0.38
FDPS P14324 1/20 0.38
DRD2 P14416 1/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
HTR4 Q13639 1/20 0.37
CYP3A4 P08684 1/20 0.37
OPRK1 P41145 1/20 0.37
SIGMAR1 Q99720 1/20 0.37

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
SCHEMBL1953418 0.92 ALOX15 (0.85) ALOX15HTR1DHTR1BTAAR1EGLN1
SCHEMBL4515060 0.92 ALOX15 (0.85) ALOX15HTR1DHTR1BTAAR1EGLN1
SCHEMBL24672614 0.91 ALOX15 (0.82) ALOX15HTR1DHTR1BTAAR1EGLN1
SCHEMBL5151262 0.91 ALOX15 (0.82) ALOX15HTR1DHTR1BTAAR1EGLN1
SCHEMBL18325377 0.90 ALOX15 (0.81) ALOX15HTR1DHTR1BTAAR1EGLN1
SCHEMBL807358 0.90 ALOX15 (0.81) ALOX15HTR1DHTR1BTAAR1EGLN1
SCHEMBL4731563 0.88 ALOX15 (0.79) ALOX15HTR1DHTR1BTAAR1EGLN1
SCHEMBL6484067 0.88 ALOX15 (0.79) ALOX15HTR1DHTR1BTAAR1EGLN1
SCHEMBL5709857 0.88 ALOX15 (0.79) ALOX15HTR1DHTR1BTAAR1EGLN1
SCHEMBL7278898 0.87 ALOX15 (0.76) ALOX15HTR1DHTR1BEGLN1ALDH1A1

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 ALOX15 4712/4885HTR1D 4190/4885HTR1B 4314/4885

“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.