SCHEMBL2019709

SCHEMBL2019709

O=C(CN1CCC(CO)CC1)Nc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.64
RECQL P46063 1/20 0.64
NPSR1 Q6W5P4 1/20 0.64
ALDH1A1 P00352 5/20 0.63
LMNA P02545 3/20 0.62
NPC1 O15118 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
KDM4E B2RXH2 2/20 0.62
TP53 P04637 1/20 0.61
RAB9A P51151 1/20 0.61
CHRNB2 P17787 1/20 0.59
CHRNB4 P30926 1/20 0.59
CHRNA3 P32297 1/20 0.59
CHRNA4 P43681 1/20 0.59
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
ME2 P23368 1/20 0.56
ME1 P48163 1/20 0.56
ME3 Q16798 1/20 0.56
DRD2 P14416 1/20 0.55

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
SCHEMBL3224693 0.87 NPC1 (0.63) HTTRECQLNPSR1ALDH1A1LMNA
SCHEMBL28599359 0.86 KDM4E (0.71) HTTRECQLNPSR1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL3211216 0.86 NPC1 (0.62) HTTRECQLNPSR1ALDH1A1LMNA
SCHEMBL13314890 0.85 POLB (0.57) HTTALDH1A1SMN1; SMN2DRD2DRD4
SCHEMBL16900136 0.85 NPSR1 (0.67) HTTRECQLNPSR1ALDH1A1LMNA
SCHEMBL6893687 0.84 ALDH1A1 (0.79) NPSR1ALDH1A1LMNANPC1SMN1; SMN2
SCHEMBL13490003 0.84 POLB (0.59) ALDH1A1SMN1; SMN2DRD2DRD4DRD3
Ammonia Solution, Strong SCHEMBL15558678 0.84 NPSR1 (0.65) HTTRECQLNPSR1ALDH1A1LMNA
SCHEMBL18838254 0.81 GSK3B (0.59) HTTRECQLNPSR1ALDH1A1LMNA
SCHEMBL22777910 0.81 ALDH1A1 (0.71) HTTALDH1A1LMNANPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102099358-B Compound with serotoninergic activity, process for preparing same and pharmaceutical composition comprising same ACRAF 2014-01-22 CN disclosed
EP-2326645-B9 COMPOUND WITH SEROTONINERGIC ACTIVITY, PROCESS FOR PREPARING IT AND PHARMACEUTICAL COMPOSITION COMPRISING IT ACRAF (IT) 2013-04-17 EP disclosed
EP-2326645-B1 COMPOUND WITH SEROTONINERGIC ACTIVITY, PROCESS FOR PREPARING IT AND PHARMACEUTICAL COMPOSITION COMPRISING IT ACRAF (IT) 2012-11-07 EP disclosed
US-20110160201-A1 COMPOUND WITH SEROTONINERGIC ACTIVITY, PROCESS FOR PREPARING IT AND PHARMACEUTICAL COMPOSITION COMPRISING IT AZIENDE CHIMI. RIUN. ANG. FRANC. A.C.R.A.F. S.p.A. (IT) 2011-06-30 US disclosed
CN-102099358-A Compound with serotoninergic activity, process for preparing same and pharmaceutical composition comprising same ACRAF 2011-06-15 CN 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-20110160201-A1 COMPOUND WITH SEROTONINERGIC ACTIVITY, PROCESS FOR PREPARING IT AND PHARMACEUTICAL COMPOSITION COMPRISING IT TPH1, TPH2, HTR1A HTT 759/4885RECQL 211/4885NPSR1 30/4885

“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.