SCHEMBL12377877

SCHEMBL12377877

CCC(=O)N1CCN(c2cccc(C)c2)CC1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.61
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
ALDH1A1 P00352 4/20 0.57
MAPT P10636 1/20 0.57
RAB9A P51151 1/20 0.57
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA9 Q16790 1/20 0.56
HSD17B10 Q99714 1/20 0.56
LMNA P02545 2/20 0.55
KCNH2 Q12809 2/20 0.54
CCR1 P32246 1/20 0.54
PTPN11 Q06124 1/20 0.53
NPSR1 Q6W5P4 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52

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
SCHEMBL19002446 0.85 DRD2 (0.60) TSHRMEN1KMT2AALDH1A1MAPT
SCHEMBL4776950 0.85 ALDH1A1 (0.73) TSHRMEN1KMT2AALDH1A1MAPT
SCHEMBL23446072 0.84 POLB (0.67) TSHRKMT2AALDH1A1MAPTRAB9A
SCHEMBL22892232 0.84 ALDH1A1 (0.53) TSHRMEN1KMT2AALDH1A1MAPT
SCHEMBL19002651 0.84 ADAMTS5 (0.58) TSHRMEN1KMT2AALDH1A1MAPT
SCHEMBL8230032 0.83 ALDH1A1 (0.61) ALDH1A1MAPTRAB9ACA12CA1
SCHEMBL630715 0.83 ALDH1A1 (0.66) TSHRMEN1KMT2AALDH1A1MAPT
SCHEMBL14224740 0.82 LMNA (0.63) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL12781874 0.82 MAPT (0.70) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL10501035 0.81 ALDH1A1 (0.60) TSHRMEN1KMT2AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3575294-A1 5-[(PIPERAZIN-1-YL)-3-OXO-PROPYL]-IMIDAZOLIDINE-2,4-DIONE DERIVATIVES AS ADAMTS INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS Les Laboratoires Servier (FR) 2019-12-04 EP disclosed
EP-3237406-B1 5-[(PIPERAZIN-1-YL)-3-OXO-PROPYL]-IMIDAZOLIDINE-2,4-DIONE DERIVATIVES AS ADAMTS INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS GALAPAGOS NV (BE) 2019-02-06 EP disclosed
US-20150353495-A1 NICOTINAMIDES AS JAK KINASE MODULATORS ALEXION PHARMACEUTICALS, INC. 2015-12-10 US disclosed
US-7998954-B2 Pyrimidodiazepinone derivative KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-08-16 US disclosed
US-7998954-B2 Pyrimidodiazepinone derivative KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-08-16 US disclosed
US-20100190775-A1 PYRIMIDODIAZEPINONE DERIVATIVE KYOWA HAKKO KIRIN CO., LTD (JP) 2010-07-29 US disclosed
US-20100190775-A1 PYRIMIDODIAZEPINONE DERIVATIVE KYOWA HAKKO KIRIN CO., LTD (JP) 2010-07-29 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 (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-20100190775-A1 PYRIMIDODIAZEPINONE DERIVATIVE KCNJ1, KCNJ11, ADRA1D TSHR 1250/4885MEN1 765/4885KMT2A 434/4885
US-20150353495-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK TSHR 3127/4885MEN1 2476/4885KMT2A 1713/4885

“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.