SCHEMBL7684746

SCHEMBL7684746

O=C(O)N1CCCC(O)(c2ccc(Cl)c(Cl)c2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.43
DRD2 P14416 1/20 0.41
CCR2 P41597 1/20 0.41
TACR2 P21452 3/20 0.40
TACR1 P25103 3/20 0.40
TACR3 P29371 3/20 0.40
PROKR1 Q8TCW9 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
SLC6A3 Q01959 5/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CCR1 P32246 1/20 0.39
SLC6A2 P23975 3/20 0.39
SLC6A4 P31645 3/20 0.39
HSD11B1 P28845 2/20 0.38

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
SCHEMBL1824469 0.92 DRD2 (0.46) HPGDDRD2CCR2TACR2TACR1
SCHEMBL8559338 0.86 TACR2 (0.55) HPGDTACR2TACR1TACR3PROKR1
SCHEMBL5378396 0.85 OPRM1 (0.52) DRD2CCR2SLC6A3SLC6A2SLC6A4
SCHEMBL3387438 0.82 DRD2 (0.50) DRD2CCR2TACR1MEN1KMT2A
SCHEMBL3984793 0.81 CCR5 (0.44) DRD2PROKR1MEN1KMT2AOPRM1
SCHEMBL12469393 0.80 PKM (0.47) TACR2NPC1RAB9AKMT2ASLC6A3
SCHEMBL12469391 0.80 PKM (0.47) TACR2NPC1RAB9AKMT2ASLC6A3
SCHEMBL2535215 0.80 CCR1 (0.46) DRD2MEN1KMT2ASLC6A3CCR1
SCHEMBL3984899 0.79 OPRM1 (0.41) HPGDTACR2TACR1TACR3MEN1
SCHEMBL5075026 0.78 DRD2 (0.44) HPGDDRD2CCR2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6403612-B2 UREA CONTAINING COMPOUNDS INHIBIT THE AGGREGATION OF BLOOD PLATELETS; NONTOXIC MERCK & CO., INC. 2002-06-11 US disclosed
US-20010044454-A1 Thrombin receptor antagonists MERCK SHARP & DOHME CORP. 2001-11-22 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 (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-20010044454-A1 Thrombin receptor antagonists F2R, TBXA2R, PTAFR HPGD 1210/4885DRD2 3947/4885CCR2 2085/4885

“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.