SCHEMBL4977907

SCHEMBL4977907

CC(=O)c1ccc2cc(N3CCNCC3)ccc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 3/20 0.59
HTR3B O95264 3/20 0.59
HTR3A P46098 3/20 0.59
HTR3D Q70Z44 3/20 0.59
HTR3C Q8WXA8 3/20 0.59
SIGMAR1 Q99720 3/20 0.59
HTR5A P47898 1/20 0.59
HTR1A P08908 2/20 0.55
HTR1D P28221 1/20 0.55
HTR1B P28222 1/20 0.55
ALDH1A1 P00352 3/20 0.51
USP2 O75604 1/20 0.51
TSHR P16473 1/20 0.51
HSD17B10 Q99714 1/20 0.51
ABL1 P00519 1/20 0.49
ADRB1 P08588 8/20 0.49
KCNH2 Q12809 2/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL17640683 0.86 MAPT (0.52) ALDH1A1TSHRHSD17B10ABL1TP53
SCHEMBL24779093 0.84 NPC1 (0.51) ALDH1A1TSHRHSD17B10ABL1TP53
SCHEMBL232986 0.84 ALDH1A1 (0.65) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL6094124 0.84 ALDH1A1 (0.65) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL17631586 0.82 PRKDC (0.58) ALDH1A1TSHRHSD17B10TP53HTT
SCHEMBL3453744 0.81 ADRB1 (0.58) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL4976412 0.81 LMNA (0.52) ALDH1A1USP2TSHRHSD17B10HTT
SCHEMBL4979464 0.80 BRD4 (0.47) ALDH1A1USP2ABL1
Hydrochloric Acid SCHEMBL4713477 0.80 ADRB1 (0.57) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL4979546 0.79 HTR3A (0.52) HTR3EHTR3BHTR3AHTR3DHTR3C

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-7341709-B2 Compositions for labeling β-amyloid plaques and neurofibrillary tangles REGENTS OF UNIVERSITY OF CALIFORNIA (US) 2008-03-11 US disclosed
US-20070053831-A1 Methods for binding agents to b-amyloid plaques THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2007-03-08 US disclosed
US-20040072371-A1 Compositions for labeling beta-amyloid plaques and neurofibrillary tangles REGENTS OF THE UNIVERSITY OF CALIFORNIA, THE 2004-04-15 US disclosed
US-6660530-B2 Diagnosis of Alzheimer's disease THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2003-12-09 US disclosed
US-20020022002-A1 Methods for labeling beta-amyloid plaques and neurofibrillary tangles THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2002-02-21 US disclosed
US-6274119-B1 LABELING .BETA.-AMYLOID PLAQUES AND NEUROFIBRILLARY TANGLES IN VIVO AND IN VITRO, COMPRISES CONTACTING RADIOLABELED AMINONAPTHALENE DERIVATIVE WITH MAMMALIAN TISSUE THE REGENTS OF THE UNIV. OF CALIFORNIA 2001-08-14 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-20020022002-A1 Methods for labeling beta-amyloid plaques and neurofibrillary tangles OXSR1, MSR1, CBR1 HTR3E 706/4885HTR3B 316/4885HTR3A 836/4885
US-20070053831-A1 Methods for binding agents to b-amyloid plaques APBA1, CLTB, FABP7 HTR3E 2443/4885HTR3B 1485/4885HTR3A 2262/4885
US-20040072371-A1 Compositions for labeling beta-amyloid plaques and neurofibrillary tangles CBR1, CBR3, MSR1 HTR3E 770/4885HTR3B 462/4885HTR3A 1032/4885

“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.