SCHEMBL2171870

SCHEMBL2171870

CC1(C)C(=O)N(C2C3CC4CC(C3)CC2C4)N1C(=O)c1cc(Cl)ccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.41
TSHR P16473 2/20 0.41
LMNA P02545 2/20 0.41
ALOX15 P16050 1/20 0.41
P2RX7 Q99572 2/20 0.40
KDM4E B2RXH2 2/20 0.39
CRHR1 P34998 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36
ALDH1A1 P00352 3/20 0.35
MAPT P10636 1/20 0.34
HSD11B1 P28845 2/20 0.34
HSD11B2 P80365 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
HSD17B10 Q99714 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL2169004 0.91 P2RX7 (0.40) TSHRALOX15P2RX7MAPTHSD17B10
SCHEMBL13368764 0.90 HCRTR1 (0.40) TP53TSHRLMNAALOX15P2RX7
SCHEMBL2170533 0.90 CXCR3 (0.38) P2RX7KDM4EALDH1A1HSD11B1HSD11B2
SCHEMBL2170032 0.89 HSD11B1 (0.33) TP53TSHRLMNAALOX15P2RX7
SCHEMBL2170385 0.86 P2RX7 (0.39) TP53P2RX7
SCHEMBL2169179 0.83 KMT2A (0.39) P2RX7ALDH1A1MAPTHSD17B10
SCHEMBL2170075 0.83 CHRNA7 (0.41) TSHRALDH1A1HSD11B1
SCHEMBL2169753 0.82 P2RX7 (0.42) P2RX7KDM4EALDH1A1HSD11B1
SCHEMBL2169563 0.82 P2RX7 (0.40) TP53P2RX7ALDH1A1HSD11B1SMN1; SMN2
SCHEMBL2169689 0.81 P2RX7 (0.35) TSHRALOX15P2RX7HSD11B1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8252781-B2 1,2-diazetidin-3-one derivatives and drugs containing same KOWA COMPANY, LTD. (JP) 2012-08-28 US claimed
EP-2348019-A1 1,2-DIAZETIDIN-3-ONE DERIVATIVE AND PHARMACEUTICAL AGENT COMPRISING SAME Kowa Company, Ltd. (JP) 2011-07-27 EP claimed
US-20100144694-A1 1,2-DIAZETIDIN-3-ONE DERIVATIVES AND DRUGS CONTAINING SAME KOWA COMPANY, LTD. (JP) 2010-06-10 US claimed
US-8252781-B2 1,2-diazetidin-3-one derivatives and drugs containing same KOWA COMPANY, LTD. (JP) 2012-08-28 US disclosed
US-8252781-B2 1,2-diazetidin-3-one derivatives and drugs containing same KOWA COMPANY, LTD. (JP) 2012-08-28 US disclosed
US-8252781-B2 1,2-diazetidin-3-one derivatives and drugs containing same KOWA COMPANY, LTD. (JP) 2012-08-28 US disclosed
EP-2348019-A1 1,2-DIAZETIDIN-3-ONE DERIVATIVE AND PHARMACEUTICAL AGENT COMPRISING SAME Kowa Company, Ltd. (JP) 2011-07-27 EP disclosed
US-20100144694-A1 1,2-DIAZETIDIN-3-ONE DERIVATIVES AND DRUGS CONTAINING SAME KOWA COMPANY, LTD. (JP) 2010-06-10 US disclosed
US-20100144694-A1 1,2-DIAZETIDIN-3-ONE DERIVATIVES AND DRUGS CONTAINING SAME KOWA COMPANY, LTD. (JP) 2010-06-10 US disclosed
US-20100144694-A1 1,2-DIAZETIDIN-3-ONE DERIVATIVES AND DRUGS CONTAINING SAME KOWA COMPANY, LTD. (JP) 2010-06-10 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 (1 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-20100144694-A1 1,2-DIAZETIDIN-3-ONE DERIVATIVES AND DRUGS CONTAINING SAME HSD11B1, HSD11B2, HSD3B1 TP53 4290/4885TSHR 2126/4885LMNA 2658/4885

“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.