SCHEMBL5705170

SCHEMBL5705170

CC(=O)N1CCC(c2c[nH]c3ccc(OCc4ccccc4)cc23)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.62
BRD4 O60885 1/20 0.62
ALDH1A1 P00352 1/20 0.62
POLB P06746 1/20 0.62
CREBBP Q92793 1/20 0.62
MTNR1A P48039 1/20 0.56
MTNR1B P49286 1/20 0.56
PRMT5 O14744 2/20 0.52
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2C19 P33261 1/20 0.52
TRPM8 Q7Z2W7 3/20 0.49
LTA4H P09960 2/20 0.49
PLA2G2A P14555 2/20 0.49
HTR1D P28221 2/20 0.49
MEN1 O00255 1/20 0.49
HSP90AA1 P07900 1/20 0.49
HSP90AB1 P08238 1/20 0.49
KMT2A Q03164 1/20 0.49
OPRM1 P35372 1/20 0.49

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
SCHEMBL16801666 0.92 ALDH1A1 (0.62) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL5363538 0.86 CYP1A2 (0.60) KDM4ECYP1A2CYP3A4CYP2C19TRPM8
SCHEMBL9836327 0.83 MTNR1A (0.78) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL26863407 0.83 TRPM8 (0.56) KDM4EPOLBCYP1A2CYP3A4CYP2C19
Hydrochloric Acid SCHEMBL9031803 0.81 OPRM1 (0.55) KDM4ETRPM8LTA4HPLA2G2AOPRM1
SCHEMBL5705128 0.81 HTR2C (0.56) KDM4EPOLBPRMT5CYP1A2CYP3A4
SCHEMBL5705057 0.79 CYP1A2 (0.72) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL5705114 0.79 CYP1A2 (0.52) KDM4EALDH1A1POLBCYP1A2CYP3A4
SCHEMBL5705098 0.78 KDM4E (1.00) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL16801602 0.77 KDM4E (0.70) 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-3082802-B1 TRYPTOPHAN-2,3-DIOXYGENASE (TDO) AND/OR INDOLAMINE-2,3-DIOXYGENASE (IDO) INHIBITORS AND THEIR USE IOMET PHARMA LTD (GB) 2020-02-26 EP disclosed
US-9931347-B2 Pharmaceutical compound IOMET PHARMA LTD. (US) 2018-04-03 US disclosed
US-9931347-B2 Pharmaceutical compound IOMET PHARMA LTD. (US) 2018-04-03 US disclosed
US-20160367564-A1 Pharmaceutical Compound IOMET PHARMA LTD. (GB) 2016-12-22 US disclosed
US-20160367564-A1 Pharmaceutical Compound IOMET PHARMA LTD. (GB) 2016-12-22 US disclosed
WO-2015082499-A2 PHARMACEUTICAL COMPOUND IOMET PHARMA LTD (GB) 2015-06-11 WO 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
WO-2005056012-A1 INDOLE DERIVATIVES FOR THE TREATMENT OF BONE DISEASES ASTELLAS PHARMA INC. (JP) 2005-06-23 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 (2 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-20160367564-A1 Pharmaceutical Compound TDO2, IDO1, IDO2 KDM4E 465/4885BRD4 1542/4885ALDH1A1 3981/4885
US-20050245540-A1 New methods TGFB1, TGFBR1, TGFB2 KDM4E 3172/4885BRD4 2570/4885ALDH1A1 885/4885

“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.