SCHEMBL19852225

SCHEMBL19852225

c1ccc(CCN2CCC3(CCc4ccccc4O3)CC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 8/20 1.00
DRD2 P14416 6/20 1.00
SIGMAR1 Q99720 11/20 0.75
ADRA1D P25100 1/20 0.66
ADRA1A P35348 1/20 0.66
ADRA1B P35368 1/20 0.66
HTR2C P28335 7/20 0.63
KCNH2 Q12809 2/20 0.63
LMNA P02545 1/20 0.56
CHRM2 P08172 1/20 0.56
ADRA2A P08913 1/20 0.56
CYP2D6 P10635 1/20 0.56
TSHR P16473 1/20 0.56
DRD1 P21728 1/20 0.56
MAPT P10636 1/20 0.55
KMT2A Q03164 1/20 0.55
HTR2B P41595 5/20 0.54
TRPM8 Q7Z2W7 1/20 0.53
OPRM1 P35372 1/20 0.53

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
SCHEMBL7439064 0.91 DRD2 (0.83) HTR2ADRD2SIGMAR1ADRA1DADRA1A
SCHEMBL11254741 0.89 DRD2 (0.80) HTR2ADRD2SIGMAR1ADRA1DADRA1A
Hydrochloric Acid SCHEMBL11543880 0.88 DRD2 (0.78) HTR2ADRD2SIGMAR1ADRA1DADRA1A
SCHEMBL7326095 0.86 SIGMAR1 (1.00) HTR2ADRD2SIGMAR1ADRA1DADRA1A
SCHEMBL8010281 0.85 DRD2 (0.74) HTR2ADRD2SIGMAR1ADRA1DADRA1A
SCHEMBL11246888 0.84 DRD2 (0.72) HTR2ADRD2SIGMAR1ADRA1DADRA1A
SCHEMBL19852228 0.84 HTR2A (0.71) HTR2ADRD2SIGMAR1ADRA1DADRA1A
SCHEMBL19838782 0.83 HTR2A (0.71) HTR2ADRD2SIGMAR1ADRA1DADRA1A
SCHEMBL19838801 0.83 HTR2A (0.71) HTR2ADRD2SIGMAR1ADRA1DADRA1A
SCHEMBL8576957 0.81 DRD2 (0.67) HTR2ADRD2SIGMAR1ADRA1DADRA1A

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-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
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 HTR2A 2/4885DRD2 69/4885SIGMAR1 612/4885
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SCN2A, HTR2A, HTR2C HTR2A 2/4885DRD2 69/4885SIGMAR1 612/4885

“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.