SCHEMBL143457

SCHEMBL143457

O=[C]CCc1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.49
NQO2 P16083 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP2C9 P11712 1/20 0.48
ACP3 P15309 1/20 0.47
CYP2D6 P10635 1/20 0.46
DAO P14920 2/20 0.45
CA2 P00918 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL7176234 0.89 HPRT1 (0.48) MTNR1ANQO2TDP1CYP1A2CYP2C19
SCHEMBL143127 0.89 MTNR1A (0.46) MTNR1ANQO2TDP1CYP1A2CYP2C19
SCHEMBL3225205 0.87 MTNR1A (0.45) MTNR1ANQO2TDP1CYP1A2CYP2C19
SCHEMBL3220289 0.85 MTNR1A (0.44) MTNR1ANQO2TDP1CYP1A2CYP2C19
SCHEMBL11842602 0.85 MTNR1A (0.44) MTNR1ANQO2TDP1CYP1A2CYP2C19
SCHEMBL7181764 0.83 KDM4E (0.40) MTNR1ANQO2DAOALDH1A1
SCHEMBL3047898 0.80 CYP1A2 (0.62) MTNR1ANQO2TDP1CYP1A2CYP2C19
SCHEMBL1823898 0.80 CYP1A2 (0.48) MTNR1ANQO2TDP1CYP1A2CYP2C19
SCHEMBL28097582 0.80 CYP1A2 (0.48) MTNR1ANQO2TDP1CYP1A2CYP2C19
SCHEMBL1306449 0.80 CYP1A2 (0.48) MTNR1ANQO2TDP1CYP1A2CYP2C19

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 1028 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4100040-A1 DIAMINE-LINKED RECEPTOR-SPECIFIC CYCLIC PEPTIDES Palatin Technologies, Inc. (US) 2022-12-14 EP claimed
WO-2021158463-A1 DIAMINE-LINKED RECEPTOR-SPECIFIC CYCLIC PEPTIDES PALATIN TECHNOLOGIES, INC. (US) 2021-08-12 WO claimed
EP-3836971-A1 CONJUGATES AND METHODS OF USING THE SAME Flagship Pioneering Innovations V, Inc. (US) 2021-06-23 EP claimed
US-20210162057-A1 CONJUGATES AND METHODS OF USING THE SAME FLAGSHIP PIONEERING INNOVATIONS V, INC. 2021-06-03 US claimed
WO-2020037009-A1 CONJUGATES AND METHODS OF USING THE SAME FLAGSHIP PIONEERING INNOVATIONS V, INC. (US) 2020-02-20 WO claimed
CN-102612514-B Anti influenza agent GRIFFITH UNIVERSITY (AU) 2016-01-13 CN claimed
US-8580795-B2 Heterocyclic compounds as phosphodiesterase inhibitors ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2013-11-12 US claimed
US-20110269753-A1 HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS ORCHID RESEARCH LABORATORIES LTD. (IN) 2011-11-03 US claimed
EP-2379538-A2 HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS Orchid Research Laboratories Limited (IN) 2011-10-26 EP claimed
WO-2010084402-A2 HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS ORCHID RESEARCH LABORATORIES LTD. (IN) 2010-07-29 WO claimed
EP-0417721-A2 Novel peptidase and isomerase inhibitors MERRELL DOW PHARMACEUTICALS INC. (US) 1991-03-20 EP claimed
CN-1049016-A New peptidase inhibitors MERRELL DOW PHARMA (US) 1991-02-06 CN claimed
EP-0410411-A2 Novel peptidase inhibitors MERRELL DOW PHARMACEUTICALS INC. (US) 1991-01-30 EP claimed
CN-1043504-A The novel analogs of peptidase substrates MERRELL DOW PHARMA (US) 1990-07-04 CN claimed
EP-0371179-A1 Novel analogs of peptidase substrates MERRELL DOW PHARMACEUTICALS INC. (US) 1990-06-06 EP claimed
EP-0364344-A2 Novel peptidase inhibitors MERRELL PHARMACEUTICALS INC. (US) 1990-04-18 EP claimed
EP-0363284-A2 Use of peptidase inhibitors for the preparation of medicaments useful for the treatment of strokes MERRELL PHARMACEUTICALS INC. (US) 1990-04-11 EP claimed
EP-0362002-A1 HIV protease inhibitors MERRELL DOW PHARMACEUTICALS INC. (US) 1990-04-04 EP claimed
WO-1989007451-A1 REDUCED SIZE LHRH ANALOGS ABBOTT LABORATORIES (US) 1989-08-24 WO claimed
EP-0328089-A2 Reduced size LHRH analogs ABBOTT LABORATORIES (US) 1989-08-16 EP claimed

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-20210162057-A1 CONJUGATES AND METHODS OF USING THE SAME CD47, CD44, CD74 MTNR1A 2162/4885NQO2 217/4885TDP1 1718/4885
US-20110269753-A1 HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS PDE4A, PDE4B, PDE4C MTNR1A 884/4885NQO2 447/4885TDP1 667/4885

“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.