SCHEMBL2750409

SCHEMBL2750409

C=CN1CCN(c2ccccc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
LMNA P02545 2/20 0.50
SIGMAR1 Q99720 2/20 0.50
CHRNA7 P36544 2/20 0.50
HTR3E A5X5Y0 1/20 0.50
HTR3B O95264 1/20 0.50
ADRB1 P08588 1/20 0.50
HTR3A P46098 1/20 0.50
HTR3D Q70Z44 1/20 0.50
HTR3C Q8WXA8 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
GAA P10253 1/20 0.48
RAB9A P51151 1/20 0.48
DRD4 P21917 1/20 0.48
KCNH2 Q12809 1/20 0.48
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
AKR1C3 P42330 1/20 0.47
DRD2 P14416 2/20 0.47
CYP3A4 P08684 1/20 0.47

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
SCHEMBL2855093 0.87 MAPT (0.42) MAPTLMNASIGMAR1CHRNA7HTR3E
SCHEMBL7678643 0.83 DRD4 (0.50) MAPTLMNASIGMAR1CHRNA7HTR3E
SCHEMBL16924853 0.83 LMNA (0.67) MAPTLMNASIGMAR1CHRNA7HTR3E
SCHEMBL576454 0.83 LMNA (0.67) MAPTLMNASIGMAR1CHRNA7HTR3E
SCHEMBL164538 0.83 LMNA (0.67) MAPTLMNASIGMAR1CHRNA7HTR3E
SCHEMBL385012 0.83
SCHEMBL576814 0.83 LMNA (0.67) MAPTLMNASIGMAR1CHRNA7HTR3E
SCHEMBL4432185 0.81 LMNA (0.57) MAPTLMNASMN1; SMN2GAARAB9A
SCHEMBL7258870 0.80 LMNA (0.64) MAPTLMNASIGMAR1CHRNA7HTR3E
SCHEMBL4052281 0.77 AKR1C3 (0.52) MAPTLMNASIGMAR1CHRNA7HTR3E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420638-B2 Triheterocyclic compounds and compositions thereof GEMIN X PHARMACEUTICALS CANADA INC. (CA) 2013-04-16 US disclosed
US-8420638-B2 Triheterocyclic compounds and compositions thereof GEMIN X PHARMACEUTICALS CANADA INC. (CA) 2013-04-16 US disclosed
US-20120004224-A1 Triheterocyclic Compounds and Compositions Thereof Gemin X Pharmaceuticals Canada Inc. (formerly Gemin X Biotechnologies Inc.) 2012-01-05 US disclosed
US-20120004224-A1 Triheterocyclic Compounds and Compositions Thereof Gemin X Pharmaceuticals Canada Inc. (formerly Gemin X Biotechnologies Inc.) 2012-01-05 US disclosed
US-7709477-B2 Methods for treating cancer GEMIN X PHARMACEUTICALS CANADA INC. (CA) 2010-05-04 US disclosed
US-20080318903-A1 METHODS FOR TREATING CANCER GEMIN X PHARMACEUTICALS CANADA INC. (CA) 2008-12-25 US disclosed
US-20080318902-A1 TRIHETEROCYCLIC COMPOUNDS AND COMPOSITIONS THEREOF GEMIN X PHARMACEUTICALS CANADA INC. (CA) 2008-12-25 US disclosed
US-20080318902-A1 TRIHETEROCYCLIC COMPOUNDS AND COMPOSITIONS THEREOF GEMIN X PHARMACEUTICALS CANADA INC. (CA) 2008-12-25 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 (3 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-20080318903-A1 METHODS FOR TREATING CANCER HCCS, EIF2AK2, ZC3HAV1 MAPT 4782/4885LMNA 2399/4885SIGMAR1 4443/4885
US-20080318902-A1 TRIHETEROCYCLIC COMPOUNDS AND COMPOSITIONS THEREOF ZC3HAV1, HCCS, PCNA MAPT 4605/4885LMNA 1751/4885SIGMAR1 4493/4885
US-20120004224-A1 Triheterocyclic Compounds and Compositions Thereof ZC3HAV1, HCCS, PCNA MAPT 4605/4885LMNA 1751/4885SIGMAR1 4493/4885

“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.