SCHEMBL6133023

SCHEMBL6133023

CCC1COCC(=O)N1Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.45
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
EHMT2 Q96KQ7 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
ELANE P08246 1/20 0.40

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
SCHEMBL6133226 1.00 P2RX7 (0.45) P2RX7KMT2AMEN1EHMT2ALDH1A1
SCHEMBL12018713 0.85 P2RX7 (0.46) P2RX7KMT2AMEN1EHMT2ALDH1A1
SCHEMBL12495007 0.85 P2RX7 (0.47) P2RX7KMT2AMEN1EHMT2ALDH1A1
SCHEMBL10215486 0.85 P2RX7 (0.47) P2RX7KMT2AMEN1EHMT2ALDH1A1
SCHEMBL6132818 0.85 P2RX7 (0.43) P2RX7KMT2AMEN1EHMT2HCRTR1
SCHEMBL1189963 0.82 P2RX7 (0.46) P2RX7KMT2AMEN1EHMT2HCRTR1
SCHEMBL1008150 0.82 P2RX7 (0.46) P2RX7KMT2AMEN1EHMT2HCRTR1
SCHEMBL1008151 0.82 P2RX7 (0.46) P2RX7KMT2AMEN1EHMT2HCRTR1
SCHEMBL21538635 0.81 ALDH1A1 (0.50) KMT2AMEN1EHMT2ALDH1A1GAA
SCHEMBL20637914 0.81 P2RX7 (0.44) P2RX7KMT2AMEN1EHMT2HCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160250219-A1 SUBSTITUTED MORPHOLINES AS MODULATORS FOR THE CALCIUM SENSING RECEPTOR LUPIN ATLANTIS HOLDINGS SA (CH) 2016-09-01 US disclosed
US-9382216-B2 Substituted morpholines as modulators for the calcium sensing receptor LUPIN LIMITED (IN) 2016-07-05 US disclosed
US-6924278-B2 Heterocyclic carboxy amines such as (2R)-1-[3,5-Bis(trifluoromethyl)benzoyl]-4-[4-((3S)-3-ethylmorpholino)-2-butynyl]-2-[(1H-indol-3-yl)methyl]piperazine, used as substance P and neurokinin antagonist for prophylaxis of diseases FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-08-02 US disclosed
US-20050027121-A1 Aroyl-piperazine derivatives, their preparation and their use as tachykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-02-03 US disclosed
US-20030114668-A1 AROYL-PIPERAZINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TACHYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-06-19 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 (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-20160250219-A1 SUBSTITUTED MORPHOLINES AS MODULATORS FOR THE CALCIUM SENSING RECEPTOR CASR, RYR1, RYR2 P2RX7 207/4885KMT2A 3755/4885MEN1 344/4885
US-20050027121-A1 Aroyl-piperazine derivatives, their preparation and their use as tachykinin antagonists TAC3, TACR1, SSTR5 P2RX7 124/4885KMT2A 829/4885MEN1 1830/4885
US-20030114668-A1 AROYL-PIPERAZINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TACHYKININ ANTAGONISTS TACR1, NPSR1, SSTR2 P2RX7 290/4885KMT2A 1097/4885MEN1 1520/4885

“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.