SCHEMBL19852049

SCHEMBL19852049

COc1cccc(OCCN2CCC(Oc3ccccc3)CC2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.65
CARM1 Q86X55 1/20 0.56
PRMT6 Q96LA8 1/20 0.56
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 2/20 0.53
KMT2A Q03164 1/20 0.53
DRD2 P14416 2/20 0.53
DRD3 P35462 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
TSHR P16473 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
LTA4H P09960 2/20 0.51
LMNA P02545 1/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
BACE1 P56817 1/20 0.50
TMEM97 Q5BJF2 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
HTR1A P08908 1/20 0.50
SLC6A4 P31645 1/20 0.50

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
SCHEMBL7402782 0.82 TMEM97 (0.76) HRH3TMEM97SIGMAR1HTR1ASLC6A4
SCHEMBL19852043 0.80 SIGMAR1 (0.71) HRH3CARM1PRMT6DRD2SIGMAR1
SCHEMBL14970714 0.79 HRH3 (0.76) HRH3ALDH1A1KDM4EKMT2ADRD2
SCHEMBL15474805 0.79 HRH3 (0.76) HRH3ALDH1A1KDM4EKMT2ADRD2
Hydrochloric Acid SCHEMBL14966772 0.78 HRH3 (0.74) HRH3ALDH1A1KDM4EKMT2ADRD2
SCHEMBL8785521 0.77 ALDH1A1 (0.61) HRH3ALDH1A1KDM4EKMT2ADRD2
SCHEMBL29912754 0.77 GAA (0.66) ALDH1A1KDM4EKMT2ASMN1; SMN2NPSR1
SCHEMBL27158734 0.77 GAA (0.66) ALDH1A1KDM4EKMT2ASMN1; SMN2NPSR1
SCHEMBL14578186 0.76 SMN1; SMN2 (0.48) HRH3CARM1PRMT6ALDH1A1KDM4E
SCHEMBL19852212 0.76 DRD2 (0.51) HRH3CARM1PRMT6KMT2ADRD2

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-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SUNOVION PHARMACEUTICALS INC. (US) 2021-11-30 US disclosed
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SUNOVION PHARMACEUTICALS INC. (US) 2021-11-30 US disclosed
US-20190194163-A1 DUAL NAV1.2/5HT2a INHIBITORS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC. (US) 2019-06-27 US disclosed
US-20190194163-A1 DUAL NAV1.2/5HT2a INHIBITORS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC. (US) 2019-06-27 US disclosed
WO-2018026371-A1 DUAL NAV1.2/5HT2A INHIBITORS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC. (US) 2018-02-08 WO 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-20190194163-A1 DUAL NAV1.2/5HT2a INHIBITORS FOR TREATING CNS DISORDERS SCN2A, HTR2A, HTR2C HRH3 2732/4885CARM1 3839/4885PRMT6 3548/4885
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SCN2A, HTR2A, HTR2C HRH3 2732/4885CARM1 3839/4885PRMT6 3548/4885

“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.