SCHEMBL5705156

SCHEMBL5705156

CC(=O)N1CCC(C2CNc3ccccc32)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
BRD4 O60885 1/20 0.44
POLB P06746 1/20 0.44
CREBBP Q92793 1/20 0.44
CCR2 P41597 1/20 0.43
HTR1A P08908 1/20 0.42
HTR1D P28221 1/20 0.42
HTR1F P30939 1/20 0.42
F12 P00748 3/20 0.39
MAPK8 P45983 1/20 0.38
MAPK10 P53779 1/20 0.38
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL7710704 0.82 GPR119 (0.56) ALDH1A1KDM4E
SCHEMBL18324790 0.82 HTR1A (0.49) ALDH1A1CCR2HTR1AHTR1DHTR1F
SCHEMBL14417925 0.81 HTR1A (0.49) ALDH1A1KDM4EHTR1AHTR1DHTR1F
SCHEMBL18324730 0.79 MAPT (0.44) ALDH1A1POLBCCR2HTR1AHTR1D
SCHEMBL6506074 0.78 SMN1; SMN2 (0.57) F12MEN1CYP3A4CYP2C9CYP2C19
SCHEMBL9835121 0.78 HTR1A (0.44) ALDH1A1POLBHTR1AHTR1DHTR1F
SCHEMBL27276830 0.76 F12 (0.40) ALDH1A1KDM4EBRD4POLBCREBBP
SCHEMBL27709542 0.75 LMNA (0.39) CCR2MEN1LMNAMAPTHPGD
SCHEMBL15187569 0.74 PRCP (0.40) CCR2MEN1LMNAKMT2A
SCHEMBL13049113 0.73 SMN1; SMN2 (0.39) ALDH1A1POLBCCR2MEN1CYP1A2

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 14 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
CN-1017707-B PROCESS FOR PREPARATION OF NEW THIAZOLE COMPOUNDS FUJISAWA PHARMACEUTICAL CO (JP) 1992-08-05 CN disclosed
EP-0224919-B1 NEW THIAZOLE COMPOUNDS, PROCESSES FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-08-14 EP disclosed
US-4742057-A Antiallergic thiazole compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-05-03 US disclosed
CN-86108205-A New thiazolium compounds and preparation method thereof and their pharmaceutical composition 1987-06-17 CN disclosed
EP-0224919-A2 New thiazole compounds, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-06-10 EP 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 ALDH1A1 3981/4885KDM4E 465/4885BRD4 1542/4885
US-20050245540-A1 New methods TGFB1, TGFBR1, TGFB2 ALDH1A1 885/4885KDM4E 3172/4885BRD4 2570/4885

“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.