SCHEMBL7106350

SCHEMBL7106350

NC(=Nc1ccc2ccccc2c1)N1CCc2cc(F)ccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.48
NOTUM Q6P988 1/20 0.47
MAPT P10636 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HTR3E A5X5Y0 2/20 0.44
HTR3B O95264 2/20 0.44
HTR3A P46098 2/20 0.44
HTR3D Q70Z44 2/20 0.44
HTR3C Q8WXA8 2/20 0.44
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.41
CNR2 P34972 1/20 0.40
NPC1 O15118 2/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2A6 P11509 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
SCHEMBL6775201 0.86 SIGMAR1 (0.62) SIGMAR1NOTUMMAPTTDP1HTR3E
Hydrochloric Acid SCHEMBL6768586 0.85 SIGMAR1 (0.61) SIGMAR1NOTUMMAPTTDP1HTR3E
SCHEMBL7104734 0.80 SIGMAR1 (0.50) SIGMAR1NOTUMMAPTTDP1CNR2
SCHEMBL7104919 0.72 MAPT (0.54) SIGMAR1NOTUMMAPTTDP1KMT2A
SCHEMBL8300040 0.71 NOTUM (0.47) NOTUMMAPTKMT2AKDM4ERAB9A
SCHEMBL7101743 0.70 SIGMAR1 (0.53) SIGMAR1NOTUMMAPTTDP1KMT2A
SCHEMBL30930563 0.70 NOTUM (0.71) NOTUMRAB9ACNR2NPC1GAA
SCHEMBL7100164 0.70 SIGMAR1 (0.61) SIGMAR1NOTUMMAPTTDP1KMT2A
SCHEMBL7099375 0.70 SIGMAR1 (0.65) SIGMAR1NOTUMMAPTTDP1KMT2A
SCHEMBL6765703 0.70 SIGMAR1 (0.61) SIGMAR1NOTUMMAPTTDP1HTR3E

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
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
US-6358993-B1 TREATMENT OF NEUROLOGICAL INJURY AND NEURODEGENERATIVE DISORDERS; NEUROPROTECTIVE AGENTS; SUBSTITUTED INDOLINYL AND INDOLINYL GUANIDINE DERIVATIVES CENES PHARMACEUTICALS, INC. 2002-03-19 US claimed
EP-0925300-A4 1999-06-30 EP claimed
EP-0925300-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-06-30 EP claimed
WO-1997030054-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 1997-08-21 WO claimed
EP-0925300-A4 1999-06-30 EP disclosed
EP-0925300-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-06-30 EP disclosed
WO-1999002145-A1 COMBINATION DRUG THERAPIES COMPRISING AMINOGLYCOSIDE ANTIBIOTICS AND N,N'-DISUBSTITUTED GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-01-21 WO disclosed
WO-1997030054-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 1997-08-21 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 2813/4885NOTUM 439/4885MAPT 122/4885
US-20020099084-A1 Pharmaceutically active compounds and methods of use ACHE, PARK7, NLN SIGMAR1 2813/4885NOTUM 439/4885MAPT 122/4885

“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.