SCHEMBL7104957

SCHEMBL7104957

NC(=Nc1ccccc1Cl)N1CCCc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NOTUM Q6P988 1/20 0.48
MAPT P10636 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
MGLL Q99685 1/20 0.47
POLB P06746 1/20 0.46
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 1/20 0.46
PDE4B Q07343 1/20 0.46
SPR P35270 1/20 0.45
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 1/20 0.45
HTR3A P46098 1/20 0.45
HTR3D Q70Z44 1/20 0.45
HTR3C Q8WXA8 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL6775636 0.92 MAPT (0.48) SIGMAR1SMN1; SMN2NOTUMMAPTTDP1
SCHEMBL6774952 0.92 MAPT (0.55) SIGMAR1SMN1; SMN2NOTUMMAPTTDP1
SCHEMBL6770333 0.87 GPBAR1 (0.49) SIGMAR1SMN1; SMN2MAPTTDP1SPR
SCHEMBL7098241 0.84 ATM (0.51) SIGMAR1SMN1; SMN2NOTUMMAPTTDP1
SCHEMBL6776139 0.84 MAPT (0.56) SIGMAR1SMN1; SMN2NOTUMMAPTTDP1
SCHEMBL6769257 0.83 SIGMAR1 (0.50) SIGMAR1SMN1; SMN2NOTUMMAPTTDP1
SCHEMBL7104470 0.82 SIGMAR1 (0.45) SIGMAR1SMN1; SMN2NOTUMMAPTTDP1
SCHEMBL6768618 0.82 SIGMAR1 (0.58) SIGMAR1SMN1; SMN2NOTUMMAPTTDP1
SCHEMBL7026550 0.81 MAPT (0.43) SIGMAR1SMN1; SMN2NOTUMMAPTTDP1
SCHEMBL6768665 0.81 MAPT (0.50) SIGMAR1SMN1; SMN2NOTUMMAPTTDP1

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-20030153763-A1 Pharmaceutically active compounds and methods of use WYETH 2003-08-14 US claimed
US-20020099084-A1 Pharmaceutically active compounds and methods of use WYETH 2002-07-25 US claimed
EP-0925300-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-06-30 EP claimed
EP-0925300-A4 1999-06-30 EP claimed
WO-1997030054-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 1997-08-21 WO claimed
WO-1999002145-A1 COMBINATION DRUG THERAPIES COMPRISING AMINOGLYCOSIDE ANTIBIOTICS AND N,N'-DISUBSTITUTED GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-01-21 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 (2 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-20030153763-A1 Pharmaceutically active compounds and methods of use ACHE, PARK7, NLN SIGMAR1 2813/4885SMN1; SMN2 104/4885NOTUM 439/4885
US-20020099084-A1 Pharmaceutically active compounds and methods of use ACHE, PARK7, NLN SIGMAR1 2813/4885SMN1; SMN2 104/4885NOTUM 439/4885

“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.