SCHEMBL19852459

SCHEMBL19852459

Fc1ccc(OC2CCN(CC3CCc4cccnc43)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.48
HTR2A P28223 2/20 0.48
KCNH2 Q12809 9/20 0.41
OPRL1 P41146 8/20 0.41
MLNR O43193 1/20 0.40
ADRB2 P07550 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HRH1 P35367 2/20 0.38
CCR3 P51677 2/20 0.38
ALDH1A1 P00352 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
SCHEMBL21071466 0.94 HTR7 (0.44) HTR7HTR2AKCNH2OPRL1MLNR
SCHEMBL21071464 0.94 HTR7 (0.44) HTR7HTR2AKCNH2OPRL1MLNR
SCHEMBL21071962 0.94 HTR7 (0.44) HTR7HTR2AKCNH2OPRL1MLNR
SCHEMBL19839274 0.89 HTR7 (0.51) HTR7HTR2AMLNRADRB2MEN1
SCHEMBL19838839 0.82 NAMPT (0.43) HTR7HTR2AMLNRADRB2MEN1
SCHEMBL19852180 0.81 HTR7 (0.51) HTR7HTR2AADRB2HRH1CCR3
SCHEMBL19839785 0.80 HTR7 (0.47) HTR7HTR2AADRB2HRH1CCR3
Hydrochloric Acid SCHEMBL19838841 0.79 HTR7 (0.46) HTR7HTR2AADRB2HRH1CCR3
SCHEMBL19839851 0.78 HTR7 (0.50) HTR7HTR2AADRB2HRH1CCR3
SCHEMBL19838591 0.78 HTR7 (0.44) HTR7HTR2AKCNH2OPRL1MLNR

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 HTR7 112/4885HTR2A 2/4885KCNH2 158/4885
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SCN2A, HTR2A, HTR2C HTR7 112/4885HTR2A 2/4885KCNH2 158/4885

“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.