SCHEMBL6202623

SCHEMBL6202623

CN(C)C(=O)C1(CNCc2ccc(O)cc2)CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.38
ALDH1A1 P00352 2/20 0.37
HTT P42858 1/20 0.37
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
OPRM1 P35372 3/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CYP3A4 P08684 3/20 0.34
CYP2C19 P33261 2/20 0.34
CYP1A2 P05177 1/20 0.34
OPRD1 P41143 3/20 0.34
OPRK1 P41145 2/20 0.34
KMT2A Q03164 1/20 0.33
OPRL1 P41146 1/20 0.33
CYP2C9 P11712 1/20 0.33
ACE P12821 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
SCHEMBL11230906 0.83 ADRB2 (0.44) ADRB2ALDH1A1HTTCA1CA2
SCHEMBL6222098 0.79 LMNA (0.45) ALDH1A1CA1CA2NPC1RAB9A
SCHEMBL8498935 0.70 LMNA (0.34) OPRM1CYP2C19OPRD1KMT2A
SCHEMBL6247146 0.70 CTSL (0.51) ALDH1A1HTTCYP3A4OPRK1KMT2A
SCHEMBL6802528 0.69 DPP7 (0.35) ADRB2ALDH1A1HTTCA1CA2
SCHEMBL16839871 0.69 TUBB4A (0.43) ALDH1A1OPRM1NPC1RAB9ACYP3A4
SCHEMBL7106093 0.69 ERCC1 (0.48) NPC1RAB9ACYP2C19CYP2C9TSHR
SCHEMBL6807682 0.68 SLC6A4 (0.41) ALDH1A1OPRM1SLC6A2SLC6A4SLC6A3
SCHEMBL6808948 0.67 ALDH1A1 (0.43) ADRB2ALDH1A1HTTCA1CA2
SCHEMBL16839634 0.67 SMN1; SMN2 (0.50) ALDH1A1NPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501800-A1 BOMBESIN ANTAGONISTS Warner-Lambert Company LLC (US) 2005-02-02 EP disclosed
US-20040063643-A1 Bombesin antagonists PFIZER INC. 2004-04-01 US disclosed
WO-2003092670-A1 BOMBESIN ANTAGONISTS WARNER-LAMBERT COMPANY LLC (US) 2003-11-13 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 (1 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-20040063643-A1 Bombesin antagonists BRS3, NPSR1, GNRHR ADRB2 38/4885ALDH1A1 3777/4885HTT 4402/4885

“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.