SCHEMBL17080644

SCHEMBL17080644

COc1cc(CN2C(=O)C=C(Br)C2=O)ccc1C

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RGS4 P49798 2/20 0.52
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 1/20 0.45
TP53 P04637 3/20 0.43
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 1/20 0.40
HSP90AA1 P07900 1/20 0.39
P2RX7 Q99572 1/20 0.38
CRHBP P24387 1/20 0.37
CRHR2 Q13324 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
SCHEMBL16158991 0.89 RGS4 (0.52) RGS4KMT2AALDH1A1TP53MAPT
SCHEMBL3470063 0.89 RGS4 (0.55) RGS4KMT2AALDH1A1TP53MAPT
SCHEMBL3201607 0.79 RGS4 (0.64) RGS4KMT2AALDH1A1MAPT
SCHEMBL10926180 0.76 CASP3 (0.56) KMT2ATP53MAPT
SCHEMBL3201920 0.73 APLNR (0.48) RGS4KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL13698258 0.72 KMT2A (0.55) KMT2AALDH1A1TP53MAPTSMN1; SMN2
SCHEMBL4852710 0.70 RGS4 (0.70) RGS4ALDH1A1MAPTLMNA
SCHEMBL4848605 0.70 RGS4 (1.00) RGS4KMT2AALDH1A1
SCHEMBL4628903 0.69 KMT2A (0.55) KMT2AALDH1A1TP53MAPTSMN1; SMN2
SCHEMBL15276187 0.69 KMT2A (0.70) KMT2AALDH1A1TP53MAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170204088-A1 NOVEL 1-HETEROARYL-3-AZABICYCLO[3.1.0]HEXANES, METHODS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS ETHISMOS RESEARCH, INC. 2017-07-20 US disclosed
US-9597315-B2 1-heteroaryl-3-azabicyclo[3.1.0]hexanes, methods for their preparation and their use as medicaments EUTHYMICS BIOSCIENCE, INC. (US) 2017-03-21 US disclosed
US-20160022634-A1 NOVEL 1-HETEROARYL-3-AZABICYCLO[3.1.0]HEXANES, METHODS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS ETHISMOS RESEARCH, INC. 2016-01-28 US disclosed
US-9133159-B2 1-heteroaryl-3-azabicyclo[3.1.0]hexanes, methods for their preparation and their use as medicaments NEUROVANCE, INC. (US) 2015-09-15 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-20160022634-A1 NOVEL 1-HETEROARYL-3-AZABICYCLO[3.1.0]HEXANES, METHODS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS HTR3C, HTR2C, GRIN2C RGS4 1048/4885KMT2A 1841/4885ALDH1A1 372/4885
US-20170204088-A1 NOVEL 1-HETEROARYL-3-AZABICYCLO[3.1.0]HEXANES, METHODS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS HTR3C, HTR2C, GRIN2C RGS4 1048/4885KMT2A 1841/4885ALDH1A1 372/4885

“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.