SCHEMBL5705116

SCHEMBL5705116

O=C(O)N1CCC(c2c[nH]c3ccccc23)CC1

nearest known ligand 0.78

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.78
BRD4 O60885 1/20 0.78
ALDH1A1 P00352 1/20 0.78
POLB P06746 1/20 0.78
CREBBP Q92793 1/20 0.78
HSD11B1 P28845 1/20 0.65
CCR2 P41597 3/20 0.58
ATM Q13315 1/20 0.58
HTR2C P28335 2/20 0.57
ADRB2 P07550 1/20 0.57
CHRM4 P08173 1/20 0.56
ADRA1D P25100 3/20 0.55
KMT2A Q03164 1/20 0.54

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
SCHEMBL16801703 0.88 KDM4E (0.72) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL18324984 0.87 KDM4E (0.76) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL5705098 0.87 KDM4E (1.00) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL16801846 0.86 KDM4E (0.74) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL27559063 0.86 KDM4E (0.78) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL5266659 0.85 CCR2 (0.70) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL5323484 0.85 KMT2A (0.61) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL16801496 0.85 KDM4E (0.76) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL18324709 0.85 KDM4E (0.72) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL27201572 0.85 HSD11B1 (0.64) KDM4EBRD4ALDH1A1POLBCREBBP

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
EP-3717477-A1 NEW HETEROCYCLIC COMPOUNDS H. Hoffnabb-La Roche Ag (CH) 2020-10-07 EP disclosed
EP-1691807-A1 INDOLE DERIVATIVES FOR THE TREATMENT OF BONE DISEASES Astellas Pharma Inc. (JP) 2006-08-23 EP disclosed
US-20050245540-A1 New methods FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-11-03 US disclosed
US-20050176730-A1 Amide and urea derivatives as 5-HT reuptake inhibitors and as 5-HT 1B/1D ligands MERCK PATENT GMBH (DE) 2005-08-11 US disclosed
WO-2005056012-A1 INDOLE DERIVATIVES FOR THE TREATMENT OF BONE DISEASES ASTELLAS PHARMA INC. (JP) 2005-06-23 WO disclosed
CN-1191246-C Indolylpiperidine derivatives as antihistamines and antiallergic agents ALMIRALL PRODESFARMA SA (ES) 2005-03-02 CN disclosed
US-20030064995-A1 Amide and urea derivatives as 5-HT reuptake inhibitors and as5-HT1B/1D ligands MERCK PATENT GMBH (DE) 2003-04-03 US disclosed
US-6509340-B1 These preparations can be employed as medicaments in human and veterinary medicine. Possible excipients are organic or inorganic substances which are suitable for enteral (e.g. oral) on the central nervous system. MERCK PATENTGESELLSCHAFT (DE) 2003-01-21 US disclosed
CN-1368969-A Indolylpiperidine derivatives as antihistaminic and antiallergic agents ALMIRALL PRODESFARMA SA (ES) 2002-09-11 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 (3 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-20050245540-A1 New methods TGFB1, TGFBR1, TGFB2 KDM4E 3172/4885BRD4 2570/4885ALDH1A1 885/4885
US-20050176730-A1 Amide and urea derivatives as 5-HT reuptake inhibitors and as 5-HT 1B/1D ligands HTR1B, HTR1D, HTR1A KDM4E 2247/4885BRD4 2867/4885ALDH1A1 363/4885
US-20030064995-A1 Amide and urea derivatives as 5-HT reuptake inhibitors and as5-HT1B/1D ligands HTR5A, HTR1B, HTR1A KDM4E 2938/4885BRD4 3943/4885ALDH1A1 1003/4885

“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.