SCHEMBL4931097

SCHEMBL4931097

CC(C)(C)OC(=O)N1CCC(=C(Br)c2ccc(C(=O)N3CCOCC3)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.55
USP2 O75604 1/20 0.55
KMT2A Q03164 3/20 0.52
MEN1 O00255 1/20 0.52
GPR119 Q8TDV5 1/20 0.47
RECQL P46063 1/20 0.46
HDAC4 P56524 1/20 0.46
PHGDH O43175 1/20 0.46
ABL1 P00519 1/20 0.45
RIN1 Q13671 1/20 0.45
JAK2 O60674 1/20 0.45
JAK1 P23458 1/20 0.45
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
HPGD P15428 3/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
GLA P06280 1/20 0.44

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
SCHEMBL4929719 0.89 KMT2A (0.62) SMN1; SMN2KMT2AMEN1GPR119HDAC4
SCHEMBL4929304 0.88 KMT2A (0.60) SMN1; SMN2KMT2AMEN1HDAC4ABL1
SCHEMBL474172 0.83 KMT2A (0.46) SMN1; SMN2USP2KMT2AMEN1GPR119
SCHEMBL14154600 0.83 GPR119 (0.55) SMN1; SMN2USP2KMT2AMEN1GPR119
SCHEMBL31705318 0.82 KMT2A (0.47) KMT2AMEN1GPR119
SCHEMBL1473518 0.81 KDM4E (0.51) KMT2AMEN1GPR119KDM4E
SCHEMBL14338856 0.81 NR1H2 (0.45) KMT2AMEN1GPR119JAK2JAK1
SCHEMBL19598956 0.80 GPR119 (0.52) GPR119
SCHEMBL14720577 0.78 ATM (0.49) SMN1; SMN2KMT2AMEN1GPR119ALDH1A1
SCHEMBL1602493 0.78 GPR119 (0.50) GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080176903-A1 Novel Compounds with Analgesic Effect ASTRAZENECA CANADA INC. (CA) 2008-07-24 US disclosed
US-7312336-B2 Compounds with analgesic effect ASTRAZENECA CANADA INC. (CA) 2007-12-25 US disclosed
EP-0946511-B1 NOVEL COMPOUNDS WITH ANALGESIC EFFECT ASTRAZENECA AB (SE) 2005-05-25 EP disclosed
US-20040171612-A1 Novel compounds with analgesic effect ASTRAZENECA CANADA INC. 2004-09-02 US disclosed
US-6693117-B2 PIPERIDIN-4-YLIDENE DERIVATIVES ASTRAZENECA CANADA INC. (CA) 2004-02-17 US disclosed
US-20030149023-A1 Novel compounds with analgesic effect ASTRAZENECA CANADA INC. 2003-08-07 US disclosed
US-6455545-B2 GASTROINTESTINAL DISORDERS ASTRAZENECA CANADA INC. (CA) 2002-09-24 US disclosed
US-20010021715-A1 Novel compounds with analgesic effect ASTRA PHARMA INC. 2001-09-13 US disclosed
US-6187792-B1 PIPERIDIN-4-METHYLIDENE-4-BENZAMIDE DERIVATIVES; OPOID RECEPTOR ANTAGONISTS; CANCER PAIN ASTRA PHARMA INC. (CA) 2001-02-13 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 (4 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-20010021715-A1 Novel compounds with analgesic effect OPRL1, OPRK1, OPRM1 SMN1; SMN2 235/4885USP2 4213/4885KMT2A 4601/4885
US-20030149023-A1 Novel compounds with analgesic effect OPRL1, OPRK1, OPRM1 SMN1; SMN2 235/4885USP2 4213/4885KMT2A 4601/4885
US-20080176903-A1 Novel Compounds with Analgesic Effect OPRL1, OPRK1, OPRM1 SMN1; SMN2 337/4885USP2 3987/4885KMT2A 4562/4885
US-20040171612-A1 Novel compounds with analgesic effect OPRL1, OPRK1, OPRM1 SMN1; SMN2 235/4885USP2 4213/4885KMT2A 4601/4885

“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.