SCHEMBL7534878

SCHEMBL7534878

COc1ccccc1N1CCN(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.59
KMT2A Q03164 3/20 0.59
LMNA P02545 3/20 0.57
ALDH1A1 P00352 3/20 0.57
TSHR P16473 2/20 0.57
MEN1 O00255 2/20 0.57
POLB P06746 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
AKR1C3 P42330 1/20 0.52
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
PKM P14618 1/20 0.50
CACNA1G O43497 1/20 0.50
KCNH2 Q12809 1/20 0.50
CACNA1C Q13936 1/20 0.50
EED O75530 1/20 0.50

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
SCHEMBL6708057 0.84 KMT2A (0.69) DRD2KMT2ALMNAALDH1A1MEN1
SCHEMBL6708055 0.84 KMT2A (0.69) DRD2KMT2ALMNAALDH1A1MEN1
SCHEMBL18541844 0.81 ALDH1A1 (0.68) DRD2KMT2ALMNAALDH1A1TSHR
SCHEMBL6068393 0.81 ALDH1A1 (0.60) DRD2KMT2ALMNAALDH1A1TSHR
SCHEMBL6070046 0.81 KMT2A (0.60) DRD2KMT2ALMNAALDH1A1TSHR
SCHEMBL6068390 0.81 ALDH1A1 (0.60) DRD2KMT2ALMNAALDH1A1TSHR
SCHEMBL6070052 0.81 KMT2A (0.60) DRD2KMT2ALMNAALDH1A1TSHR
SCHEMBL6069737 0.80 KMT2A (0.52) DRD2KMT2ALMNAALDH1A1TSHR
SCHEMBL6069745 0.80 KMT2A (0.52) DRD2KMT2ALMNAALDH1A1TSHR
SCHEMBL246627 0.80 TSHR (0.63) DRD2KMT2ALMNAALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020013324-A1 N-substituted imide derivatives with serotonergic activity AMERICAN HOME PRODUCTS CORPORATION 2002-01-31 US disclosed
EP-1157017-A1 N-SUBSTITUTED IMIDE DERIVATIVES WITH SEROTONERGIC ACTIVITY AMERICAN HOME PRODUCTS CORPORATION (US) 2001-11-28 EP disclosed
US-6306859-B1 PIPERIDINE ALKYL IMIDES AS NEUROTRANSMITTERS AMERICAN HOME PRODUCTS CORPORATION 2001-10-23 US disclosed
WO-2000052002-A1 N-SUBSTITUTED IMIDE DERIVATIVES WITH SEROTONERGIC ACTIVITY AMERICAN HOME PRODUCTS CORPORATION (US) 2000-09-08 WO disclosed
EP-0955296-A2 Tertiary alkyl functionalized piperazine derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1999-11-10 EP disclosed
US-4988814-A Antidepressants and/or anxiolytic agents AMERICAN HOME PRODUCTS CORP. (US) 1991-01-29 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-20020013324-A1 N-substituted imide derivatives with serotonergic activity TPH1, HTR1A, HTR1E DRD2 43/4885KMT2A 1355/4885LMNA 1465/4885

“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.