SCHEMBL5402285

SCHEMBL5402285

COc1ccc(-c2ccc3c(N4CCCCC4)cc(C)nc3c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 2/20 0.58
HRH4 Q9H3N8 1/20 0.49
MAPT P10636 1/20 0.48
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
NPSR1 Q6W5P4 2/20 0.46
MEN1 O00255 2/20 0.46
PKM P14618 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPY5R Q15761 1/20 0.46
TSHR P16473 1/20 0.46
TUBB4A P04350 1/20 0.45
TUBB P07437 1/20 0.45
TUBA3C P0DPH7 1/20 0.45
TUBA1B P68363 1/20 0.45
TUBA4A P68366 1/20 0.45
TUBB4B P68371 1/20 0.45
TUBB3 Q13509 1/20 0.45
TUBB2A Q13885 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
SCHEMBL5405102 0.99 NCF1 (0.56) NCF1HRH4MAPTKMT2AALDH1A1
SCHEMBL5873086 0.90 NCF1 (0.63) NCF1MAPTKMT2AALDH1A1KDM4E
SCHEMBL5036263 0.88 NCF1 (0.61) NCF1MAPTKMT2AALDH1A1KDM4E
SCHEMBL5412027 0.88 NCF1 (0.55) NCF1MAPTKMT2AALDH1A1KDM4E
Hydrochloric Acid SCHEMBL6377887 0.87 NCF1 (0.59) NCF1MAPTKMT2AALDH1A1KDM4E
SCHEMBL5405430 0.86 NCF1 (0.50) NCF1MAPTKMT2AALDH1A1KDM4E
SCHEMBL5401181 0.86 NCF1 (0.74) NCF1HRH4MAPTKMT2AKDM4E
SCHEMBL5405573 0.85 NCF1 (0.62) NCF1MAPTKDM4EPKMSMN1; SMN2
SCHEMBL5401985 0.85 KDM4E (0.57) NCF1MAPTKMT2AALDH1A1KDM4E
SCHEMBL5406717 0.84 NCF1 (0.51) NCF1MAPTNPY5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6900226-B2 Neuropeptide Y antagonists HOFFMAN-LA ROCHE INC. (US) 2005-05-31 US claimed
US-20020052356-A1 Neuropeptide Y antagonists F.HOFFMANN-LA ROCHE AG (CH) 2002-05-02 US claimed
US-7265125-B2 Neuropeptide Y antagonists HOFFMANN-LA ROCHE INC. (US) 2007-09-04 US disclosed
US-20050176698-A1 Neuropeptide Y antagonists BREU VOLKER (DE) 2005-08-11 US disclosed
US-6900226-B2 Neuropeptide Y antagonists HOFFMAN-LA ROCHE INC. (US) 2005-05-31 US disclosed
EP-1318981-A2 QUINOLINE AND QUINAZOLINE DERIVATIVES AS LIGANDS FOR THE NEUROPEPTIDE Y RECEPTOR F. HOFFMANN-LA ROCHE AG (CH) 2003-06-18 EP disclosed
US-20020052356-A1 Neuropeptide Y antagonists F.HOFFMANN-LA ROCHE AG (CH) 2002-05-02 US disclosed
WO-2002020488-A2 QUINOLINE AND QUINAZOLINE DERIVATIVES AS LIGANDS FOR THE NEUROPEPTIDE Y RECEPTOR F. HOFFMANN-LA ROCHE AG (CH) 2002-03-14 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-20050176698-A1 Neuropeptide Y antagonists NPY5R, NPY4R, NPY2R NCF1 1230/4885HRH4 279/4885MAPT 4262/4885
US-20020052356-A1 Neuropeptide Y antagonists NPY5R, NPY4R, NPY2R NCF1 1230/4885HRH4 279/4885MAPT 4262/4885

“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.