SCHEMBL20538723

SCHEMBL20538723

O=C(OC1=CC2=CC3C=CN2C(=C1)C3)c1c[nH]c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.46
CREBBP Q92793 1/20 0.42
HTR3A P46098 6/20 0.41
HTR3E A5X5Y0 5/20 0.41
HTR3B O95264 5/20 0.41
HTR3D Q70Z44 5/20 0.41
HTR3C Q8WXA8 5/20 0.41
KCNH2 Q12809 4/20 0.41
CHRNB2 P17787 3/20 0.41
CHRNA7 P36544 3/20 0.41
CHRNA4 P43681 3/20 0.41
CYP2D6 P10635 3/20 0.41
CHRNA1 P02708 2/20 0.41
CHRNG P07510 2/20 0.41
CYP3A4 P08684 2/20 0.41
CHRNB1 P11230 2/20 0.41
CHRNA3 P32297 2/20 0.41
CHRND Q07001 2/20 0.41
HTR1A P08908 2/20 0.41
SLC6A4 P31645 2/20 0.41

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
SCHEMBL20538722 0.65 KDM4E (0.37) NR4A2HTR3ACYP3A4ALDH1A1CYP1A2
SCHEMBL27743671 0.64 HTR3A (0.69) NR4A2CREBBPHTR3AHTR3EHTR3B
SCHEMBL28068117 0.61 NR4A2 (0.70) NR4A2CREBBPLMNASMN1; SMN2ALDH1A1
SCHEMBL29156595 0.61 NR4A2 (0.70) NR4A2CREBBPHTR3AHTR3EHTR3B
SCHEMBL1093530 0.61 NR4A2 (1.00) NR4A2CREBBPMAPTSMN1; SMN2ALDH1A1
SCHEMBL30031033 0.61 NR4A2 (1.00) NR4A2CREBBPMAPTSMN1; SMN2ALDH1A1
SCHEMBL28283182 0.61 NR4A2 (0.70) NR4A2CREBBPHTR3AHTR3EHTR3B
SCHEMBL6684094 0.61 NR4A2 (0.69) NR4A2CREBBPHTR3AHTR3EHTR3B
SCHEMBL15175554 0.61 NR4A2 (0.64) NR4A2CREBBPLMNAHRH3ALDH1A1
Hydrochloric Acid SCHEMBL28254334 0.60 NR4A2 (0.97) NR4A2CREBBPMAPTSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200155568-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR ANESTHESIOLOGICAL APPLICATIONS FIFTH THIRD BANK, NATIONAL ASSOCIATION, AS AGENT 2020-05-21 US disclosed
US-10555952-B2 Pharmaceutical compositions and methods for anesthesiological applications MELT PHARMACEUTICALS, INC. (US) 2020-02-11 US disclosed
US-20180303847-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR ANESTHESIOLOGICAL APPLICATIONS FIFTH THIRD BANK, NATIONAL ASSOCIATION, AS AGENT 2018-10-25 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-10555952-B2 Pharmaceutical compositions and methods for anesthesiological applications GRIN2B, GRIN3A, GABRA5 NR4A2 674/4885CREBBP 1115/4885HTR3A 222/4885
US-20200155568-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR ANESTHESIOLOGICAL APPLICATIONS GRIN2B, GRIN3A, GABRA5 NR4A2 674/4885CREBBP 1115/4885HTR3A 222/4885
US-20180303847-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR ANESTHESIOLOGICAL APPLICATIONS GRIN2B, GRIN3A, GABRA5 NR4A2 674/4885CREBBP 1115/4885HTR3A 222/4885

“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.