SCHEMBL844036

SCHEMBL844036

O=C(NC1CC2CC1CN2)c1cc2cscc2cn1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 7/20 0.36
HTR3A P46098 4/20 0.35
SMYD3 Q9H7B4 2/20 0.35
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35
HTR3D Q70Z44 1/20 0.35
HTR3C Q8WXA8 1/20 0.35
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
EGFR P00533 2/20 0.32
EGLN1 Q9GZT9 1/20 0.32
NTRK1 P04629 1/20 0.31
USP30 Q70CQ3 1/20 0.30
ABL1 P00519 1/20 0.30
CHRM1 P11229 1/20 0.30

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
SCHEMBL843572 0.81 CHRNA7 (0.52) CHRNA7HTR3ASMYD3HTR3EHTR3B
SCHEMBL843678 0.81 CHRNA7 (0.53) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6099269 0.81 F10 (0.40) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL6101370 0.81 CHRNA7 (0.39) CHRNA7HTR3ASMYD3HTR3EHTR3B
SCHEMBL843682 0.80 HDAC6 (0.42) CHRNA7HTR3ASMYD3HTR3EHTR3B
SCHEMBL844161 0.79 CHRNA7 (0.34) CHRNA7HTR3ASMYD3HTR3EHTR3B
SCHEMBL5918031 0.79 SMYD3 (0.36) CHRNA7HTR3ASMYD3HTR3EHTR3B
SCHEMBL843804 0.79 CHRNA7 (0.49) CHRNA7HTR3ASMYD3HTR3EHTR3B
SCHEMBL843928 0.79 CHRNA7 (0.36) CHRNA7HTR3ASMYD3HTR3EHTR3B
SCHEMBL843759 0.79 CHRNA7 (0.60) CHRNA7HTR3ASMYD3HTR3EHTR3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1432707-B1 AZABICYCLIC-SUBSTITUTED FUSED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN CO LLC (US) 2012-03-28 EP claimed
US-20050234092-A1 Azabicyclic-substituted fused heteroaryl compounds for the treatment of disease PFIZER INC 2005-10-20 US claimed
EP-1432707-A1 AZABICYCLIC-SUBSTITUTED FUSED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-06-30 EP claimed
US-20030153595-A1 Azabicyclic-substituted fused-heteroaryl compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-08-14 US claimed
WO-2003029252-A1 AZABICYCLIC-SUBSTITUTED FUSED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2003-04-10 WO claimed
EP-1432707-B1 AZABICYCLIC-SUBSTITUTED FUSED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN CO LLC (US) 2012-03-28 EP disclosed
US-20050234092-A1 Azabicyclic-substituted fused heteroaryl compounds for the treatment of disease PFIZER INC 2005-10-20 US disclosed
US-20050222196-A1 Azabicyclic-substituted fused heteroaryl compounds for the treatment of disease PFIZER INC. 2005-10-06 US disclosed
US-6911543-B2 Azabicyclic-substituted fused-heteroaryl compounds for the treatment of disease PFIZER INC. (US) 2005-06-28 US disclosed
EP-1432707-A1 AZABICYCLIC-SUBSTITUTED FUSED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-06-30 EP disclosed
US-20030153595-A1 Azabicyclic-substituted fused-heteroaryl compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-08-14 US disclosed
WO-2003029252-A1 AZABICYCLIC-SUBSTITUTED FUSED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2003-04-10 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 (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-20050234092-A1 Azabicyclic-substituted fused heteroaryl compounds for the treatment of disease UGT2B7, CYP3A7, UGT1A7 CHRNA7 5/4885HTR3A 783/4885SMYD3 3529/4885
US-20030153595-A1 Azabicyclic-substituted fused-heteroaryl compounds for the treatment of disease MALT1, TPMT, ABCB1 CHRNA7 1401/4885HTR3A 2224/4885SMYD3 3768/4885
US-20050222196-A1 Azabicyclic-substituted fused heteroaryl compounds for the treatment of disease UGT2B7, CYP3A7, UGT1A7 CHRNA7 5/4885HTR3A 783/4885SMYD3 3529/4885

“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.