SCHEMBL19851992

SCHEMBL19851992

O=C(CN1CCN(c2cccc(Cl)c2)CC1)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.64
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
ALDH1A1 P00352 4/20 0.62
TDP1 Q9NUW8 1/20 0.62
ADRB2 P07550 1/20 0.60
GAA P10253 1/20 0.60
MAPT P10636 1/20 0.60
HTT P42858 1/20 0.60
HTR1A P08908 2/20 0.60
HTR7 P34969 1/20 0.60
SIGMAR1 Q99720 1/20 0.59
POLB P06746 3/20 0.59
SMN1; SMN2 Q16637 1/20 0.57
KCNH2 Q12809 1/20 0.57

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
SCHEMBL351380 0.87 POLB (0.74) MEN1KMT2AALDH1A1MAPTHTR1A
SCHEMBL10757967 0.85 MEN1 (0.70) TSHRMEN1KMT2AALDH1A1TDP1
SCHEMBL2767454 0.83 POLB (0.57) MEN1KMT2AALDH1A1TDP1GAA
SCHEMBL9579459 0.82 MEN1 (0.70) TSHRMEN1KMT2AALDH1A1TDP1
SCHEMBL27597097 0.81 MEN1 (0.68) TSHRMEN1KMT2AALDH1A1TDP1
SCHEMBL4874296 0.81 ALDH1A1 (0.71) TSHRMEN1KMT2AALDH1A1GAA
SCHEMBL10729857 0.80 ALDH1A1 (0.79) TSHRMEN1KMT2AALDH1A1ADRB2
SCHEMBL10726266 0.80 ALDH1A1 (0.69) TSHRMEN1KMT2AALDH1A1ADRB2
SCHEMBL19852039 0.80 DRD2 (0.70) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL4875267 0.80 ALDH1A1 (0.79) MEN1KMT2AALDH1A1TDP1MAPT

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 TSHR 2163/4885MEN1 4388/4885KMT2A 572/4885
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SCN2A, HTR2A, HTR2C TSHR 2163/4885MEN1 4388/4885KMT2A 572/4885

“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.