SCHEMBL1591829

SCHEMBL1591829

CCC1CN(Cc2ccccc2)CC(CC)O1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FUCA1 P04066 2/20 0.51
DRD4 P21917 1/20 0.49
SIGMAR1 Q99720 2/20 0.48
ACHE P22303 1/20 0.47
MC4R P32245 1/20 0.46
S1PR1 P21453 1/20 0.45
S1PR5 Q9H228 1/20 0.45
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
GBA1 P04062 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
SCHEMBL1591825 1.00 FUCA1 (0.51) FUCA1DRD4SIGMAR1ACHEMC4R
SCHEMBL30613583 0.94 FUCA1 (0.50) FUCA1DRD4SIGMAR1ACHES1PR1
SCHEMBL26129099 0.94 FUCA1 (0.50) FUCA1DRD4SIGMAR1ACHES1PR1
SCHEMBL26130958 0.94 FUCA1 (0.50) FUCA1DRD4SIGMAR1ACHES1PR1
SCHEMBL2305974 0.90 KDM4E (0.51) FUCA1DRD4SIGMAR1ACHEMC4R
SCHEMBL21906181 0.85 FUCA1 (0.42) FUCA1DRD4SIGMAR1ACHEDRD2
SCHEMBL29702247 0.85 FUCA1 (0.42) FUCA1DRD4SIGMAR1ACHEDRD2
SCHEMBL15269312 0.82 FUCA1 (0.51) FUCA1DRD4SIGMAR1S1PR1S1PR5
SCHEMBL5372194 0.81 DRD4 (0.50) FUCA1DRD4SIGMAR1ACHEDRD2
SCHEMBL5540770 0.81 FUCA1 (0.50) FUCA1DRD4SIGMAR1ACHEMC4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420646-B2 Tricyclic tetrahydroquinoline antibacterial agents PAH P&U LLC (US) 2013-04-16 US disclosed
US-20110092494-A1 Tricyclic Tetrahydroquinoline Antibacterial Agents PHARMACIA & UPJOHN COMPANY 2011-04-21 US disclosed
EP-1551849-B1 TRICYCLIC TETRAHYDROQUINOLINE ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN CO LLC (US) 2010-07-14 EP disclosed
US-7605157-B2 Tricyclic tetrahydroquinoline antibacterial agents PHARMACIA & UPJOHN COMPANY LLC (US) 2009-10-20 US disclosed
US-20070161630-A1 Tricyclic tetrahydroquinoline antibacterial agents ZOETIS SERVICES LLC 2007-07-12 US disclosed
US-7208490-B2 Tricyclic tetrahydroquinoline antibacterial agents PHARMACIA & UPJOHN COMPANY LLC (US) 2007-04-24 US disclosed
EP-1551849-A1 TRICYCLIC TETRAHYDROQUINOLINE ANTIBACTERIAL AGENTS Pharmacia & Upjohn Company LLC (US) 2005-07-13 EP disclosed
US-20040162279-A1 Tricyclic tetrahydroquinoline antibacterial agents ZOETIS SERVICES LLC 2004-08-19 US disclosed
WO-2004031195-A1 TRICYCLIC TETRAHYDROQUINOLINE ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2004-04-15 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 (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-20110092494-A1 Tricyclic Tetrahydroquinoline Antibacterial Agents QTRT1, QTRT2, NQO2 FUCA1 4373/4885DRD4 1562/4885SIGMAR1 1999/4885
US-20070161630-A1 Tricyclic tetrahydroquinoline antibacterial agents QTRT1, QTRT2, NQO2 FUCA1 4373/4885DRD4 1562/4885SIGMAR1 1999/4885
US-20040162279-A1 Tricyclic tetrahydroquinoline antibacterial agents QTRT1, QTRT2, NQO2 FUCA1 4373/4885DRD4 1562/4885SIGMAR1 1999/4885

“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.