SCHEMBL21144646

SCHEMBL21144646

O=C(CBr)C1CCc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 5/20 0.54
KCNQ2 O43526 1/20 0.44
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
CRBN Q96SW2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
IDO1 P14902 1/20 0.40
PDPK1 O15530 1/20 0.40
ACP3 P15309 1/20 0.40
BLM P54132 1/20 0.39
TSHR P16473 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39

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
SCHEMBL30191225 0.86 PIN1 (0.54) PIN1KCNQ2MTNR1AMTNR1BALDH1A1
SCHEMBL11305795 0.86 PIN1 (0.54) PIN1KCNQ2MTNR1AMTNR1BALDH1A1
SCHEMBL9540395 0.83 PIN1 (0.54) PIN1KCNQ2MTNR1AMTNR1BCRBN
SCHEMBL11131384 0.81 PIN1 (0.53) PIN1KCNQ2MTNR1AMTNR1BALDH1A1
SCHEMBL7874907 0.80 PIN1 (0.51) PIN1KCNQ2ALDH1A1
SCHEMBL11666042 0.80 PIN1 (0.51) PIN1KCNQ2MTNR1AMTNR1BTSHR
SCHEMBL4830828 0.80 PIN1 (0.62) PIN1KCNQ2CRBNIDO1PDPK1
SCHEMBL907688 0.78 PIN1 (0.60) PIN1KCNQ2IDO1PDPK1ACP3
SCHEMBL2790690 0.78 PIN1 (0.60) PIN1KCNQ2IDO1PDPK1ACP3
SCHEMBL12431131 0.78 PIN1 (0.60) PIN1KCNQ2IDO1PDPK1ACP3

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 2 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

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 PIN1 3338/4885KCNQ2 85/4885MTNR1A 395/4885
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SCN2A, HTR2A, HTR2C PIN1 3338/4885KCNQ2 85/4885MTNR1A 395/4885

“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.