SCHEMBL3944091

SCHEMBL3944091

CCCCCNc1ccc(C(=O)OC)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.64
SCN5A Q14524 2/20 0.62
ABCB11 O95342 1/20 0.62
CYP3A4 P08684 1/20 0.62
ADRA2B P18089 1/20 0.62
OPRD1 P41143 1/20 0.62
LMNA P02545 3/20 0.59
CYP1A2 P05177 1/20 0.59
MAOA P21397 1/20 0.59
CNR1 P21554 1/20 0.59
DRD4 P21917 1/20 0.59
ACHE P22303 1/20 0.59
HRH2 P25021 1/20 0.59
HTR2A P28223 1/20 0.59
HTR2C P28335 1/20 0.59
MAPK1 P28482 1/20 0.59
NTSR1 P30989 1/20 0.59
HRH1 P35367 1/20 0.59
DRD3 P35462 1/20 0.59
SCN1A P35498 1/20 0.59

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
SCHEMBL2310585 0.98 POLB (0.62) POLBSCN5AABCB11CYP3A4ADRA2B
SCHEMBL29114255 0.98 POLB (0.62) POLBSCN5AABCB11CYP3A4ADRA2B
SCHEMBL11560046 0.98 POLB (0.62) POLBSCN5AABCB11CYP3A4ADRA2B
SCHEMBL11565392 0.98 POLB (0.62) POLBSCN5AABCB11CYP3A4ADRA2B
SCHEMBL11560232 0.98 POLB (0.62) POLBSCN5AABCB11CYP3A4ADRA2B
SCHEMBL11075289 0.98 POLB (0.62) POLBSCN5AABCB11CYP3A4ADRA2B
SCHEMBL11564179 0.98 POLB (0.62) POLBSCN5AABCB11CYP3A4ADRA2B
SCHEMBL14149520 0.95 SCN5A (0.68) POLBSCN5AABCB11CYP3A4ADRA2B
SCHEMBL5925515 0.88 POLB (0.70) POLBSCN5AABCB11CYP3A4ADRA2B
SCHEMBL11496351 0.87 POLB (0.54) POLBSCN5AABCB11CYP3A4ADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025086591-A1 ROTIGOTINE PRODRUG DERIVATIVE, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF 烟台药物研究所 2025-05-01 WO disclosed
CN-117105906-B Rotigotine prodrug derivatives, pharmaceutical compositions and uses thereof 烟台药物研究所 2024-01-30 CN disclosed
CN-117105906-A Rotigotine prodrug derivatives, pharmaceutical compositions and uses thereof 烟台药物研究所 2023-11-24 CN disclosed
EP-1430023-B1 SUBSTITUIED UREA RETINOID AGONISTS II HOFFMANN LA ROCHE (CH) 2009-04-08 EP disclosed
US-6838472-B2 For treating or preventing emphysema, cancer and dermatological disorders SYNTEX (U.S.A.) LLC (US) 2005-01-04 US disclosed
EP-1430023-A1 SUBSTITUIED UREA RETINOID AGONISTS II F. HOFFMANN-LA ROCHE AG (CH) 2004-06-23 EP disclosed
US-20030125383-A1 Substituted urea retinoid agonists ROCHE BIOSCIENCE, A DIVISION OF SYNTEX (U.S.A.) LLC 2003-07-03 US disclosed
EP-1299350-A1 SUBSTITUTED BENZAMIDES FOR IMMUNE ENHANCEMENT AND FOR THE TREATMENT OF CANCER, INFECTION AND MANIC-DEPRESSIVE ILLNESS Active Biotech AB (SE) 2003-04-09 EP disclosed
WO-2003024920-A1 SUBSTITUTED UREA RETINOID AGONISTS II F. HOFFMANN-LA ROCHE AG (CH) 2003-03-27 WO disclosed
WO-2002002511-A1 SUBSTITUTED BENZAMIDES FOR IMMUNE ENHANCEMENT AND FOR THE TREATMENT OF CANCER, INFECTION AND MANIC-DEPRESSIVE ILLNESS ACTIVE BIOTECH AB (SE) 2002-01-10 WO disclosed
EP-0425921-B1 Benzimidazole derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-08-09 EP disclosed
US-5250554-A Cardiovascular disorders TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-10-05 US disclosed
US-5128356-A Angiotensin antagonist; cardiovascular disorders TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-07-07 US disclosed
EP-0425921-A1 Benzimidazole derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-05-08 EP 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-20030125383-A1 Substituted urea retinoid agonists RXRA, RXRG, RARG POLB 1686/4885SCN5A 4563/4885ABCB11 3697/4885

“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.