SCHEMBL844298

SCHEMBL844298

CN1CCN(C(=O)c2csc3cnc(C(=O)N[C@@H]4C[C@@H]5CCN(C5)C4)cc23)CC1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 8/20 0.58
MAP3K7 O43318 1/20 0.37
BMPR1B O00238 2/20 0.37
BMPR1A P36894 2/20 0.37
ACVRL1 P37023 2/20 0.37
ACVR1 Q04771 2/20 0.37
TGFBR1 P36897 1/20 0.37
HTR3A P46098 1/20 0.35
HSD17B10 Q99714 2/20 0.35
HRH3 Q9Y5N1 2/20 0.35
ALDH1A1 P00352 1/20 0.35
SMYD3 Q9H7B4 1/20 0.35
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
PDE7A Q13946 1/20 0.33
CHRM4 P08173 1/20 0.33

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
SCHEMBL844297 1.00 CHRNA7 (0.58) CHRNA7MAP3K7BMPR1BBMPR1AACVRL1
SCHEMBL843462 0.96 CHRNA7 (0.60) CHRNA7HTR3AHSD17B10HRH3ALDH1A1
SCHEMBL843463 0.96 CHRNA7 (0.60) CHRNA7HTR3AHSD17B10HRH3ALDH1A1
SCHEMBL843464 0.93 CHRNA7 (0.58) CHRNA7HTR3AHSD17B10HRH3ALDH1A1
SCHEMBL843465 0.93 CHRNA7 (0.58) CHRNA7HTR3AHSD17B10HRH3ALDH1A1
SCHEMBL843035 0.93 CHRNA7 (0.58) CHRNA7HTR3AHSD17B10HRH3ALDH1A1
SCHEMBL843036 0.93 CHRNA7 (0.58) CHRNA7HTR3AHSD17B10HRH3ALDH1A1
SCHEMBL844139 0.92 CHRNA7 (0.57) CHRNA7HTR3AHSD17B10HRH3ALDH1A1
SCHEMBL844138 0.92 CHRNA7 (0.57) CHRNA7HTR3AHSD17B10HRH3ALDH1A1
SCHEMBL843280 0.91 CHRNA7 (0.56) CHRNA7HTR3AHSD17B10HRH3ALDH1A1

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 10 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-6911543-B2 Azabicyclic-substituted fused-heteroaryl compounds for the treatment of disease PFIZER INC. (US) 2005-06-28 US claimed
US-20030153595-A1 Azabicyclic-substituted fused-heteroaryl compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-08-14 US 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 5/4885MAP3K7 3769/4885BMPR1B 544/4885
US-20030153595-A1 Azabicyclic-substituted fused-heteroaryl compounds for the treatment of disease MALT1, TPMT, ABCB1 CHRNA7 1401/4885MAP3K7 4633/4885BMPR1B 266/4885
US-20050222196-A1 Azabicyclic-substituted fused heteroaryl compounds for the treatment of disease UGT2B7, CYP3A7, UGT1A7 CHRNA7 5/4885MAP3K7 3769/4885BMPR1B 544/4885

“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.