SCHEMBL7806569

SCHEMBL7806569

O=C1CCCN1c1ccc(Cl)c(F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.49
SLC6A4 P31645 4/20 0.49
SLC6A3 Q01959 2/20 0.49
ALDH1A1 P00352 5/20 0.49
HPGD P15428 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
AKR1C3 P42330 1/20 0.47
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 1/20 0.45
PDK2 Q15119 1/20 0.44
RAD51 Q06609 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
TP53 P04637 1/20 0.43
GLA P06280 1/20 0.43
PKM P14618 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
SCHEMBL16542450 0.85 ALDH1A1 (0.53) ALDH1A1HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL6431344 0.85 SLC6A2 (0.65) SLC6A2SLC6A4SLC6A3ALDH1A1HPGD
SCHEMBL29915095 0.83 DRD2 (0.53) SLC6A2SLC6A4SLC6A3ALDH1A1CYP1A2
SCHEMBL6028503 0.82 PPOX (0.55) SLC6A2SLC6A4SLC6A3ALDH1A1HPGD
SCHEMBL3551615 0.82 ALDH1A1 (0.50) ALDH1A1HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL13664744 0.82 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3RAD51
SCHEMBL7814371 0.81 ALDH1A1 (0.58) SLC6A2SLC6A4SLC6A3ALDH1A1HPGD
SCHEMBL12362768 0.81 ALDH1A1 (0.53) SLC6A2SLC6A4SLC6A3ALDH1A1HPGD
SCHEMBL5256214 0.81 ALDH1A1 (0.53) ALDH1A1HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL17080016 0.81 ALDH1A1 (0.49) ALDH1A1HPGDCYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 US disclosed
EP-1119547-A1 SUBSTITUTED PYRROLIDINONE, THIAZOLIDINONE OR OXAZOLIDINONE AS HERBICIDES Syngenta Limited (GB) 2001-08-01 EP disclosed
WO-2000021928-A1 SUBSTITUTED PYRROLIDINONE, THIAZOLIDINONE OR OXAZOLIDINONE AS HERBICIDES SYNGENTA LIMITED (GB) 2000-04-20 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-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 SLC6A2 2741/4885SLC6A4 2426/4885SLC6A3 2367/4885

“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.