SCHEMBL17848622

SCHEMBL17848622

CC(C)Oc1cc(F)ccc1OCCBr

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.42
KCNH2 Q12809 2/20 0.40
TMEM97 Q5BJF2 2/20 0.40
SIGMAR1 Q99720 2/20 0.40
KDM4E B2RXH2 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
HTR1A P08908 2/20 0.36
HTR7 P34969 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CSNK2A1 P68400 1/20 0.34
S1PR4 O95977 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL17848587 0.81 L3MBTL1 (0.46) NPSR1KDM4ETDP1ALDH1A1MEN1
SCHEMBL9462367 0.78 FFAR1 (0.47) KDM4ETDP1HTR1ACYP1A2CYP2C19
SCHEMBL7526775 0.77 KDM4E (0.43) NPSR1KCNH2TMEM97SIGMAR1KDM4E
SCHEMBL20224817 0.76 MRGPRX4 (0.44) KDM4ETDP1KMT2ACYP1A2CYP2D6
SCHEMBL28580037 0.76 KCNH2 (0.43) NPSR1KCNH2TMEM97SIGMAR1ALDH1A1
SCHEMBL20224818 0.76 FFAR1 (0.46) KCNH2TDP1LMNAPOLBCYP1A2
SCHEMBL28573110 0.76 CSNK2A1 (0.38) NPSR1KCNH2TMEM97SIGMAR1CSNK2A1
SCHEMBL2428361 0.75 ALDH1A1 (0.41) TDP1ALDH1A1MEN1POLBKMT2A
SCHEMBL5096295 0.75 ADRA1D (0.39) TDP1L3MBTL1PKM
SCHEMBL30406290 0.75 ADRA1D (0.39) TDP1L3MBTL1PKM

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233077-B1 DOPAMINE D2 RECEPTOR LIGANDS BROAD INST INC (US) 2026-05-06 EP disclosed
US-12428373-B2 Dopamine D2 receptor ligands THE BROAD INSTITUTE, INC. (US) 2025-09-30 US disclosed
US-20230143552-A1 DOPAMINE D2 RECEPTOR LIGANDS THE BROAD INSTITUTE, INC. (US) 2023-05-11 US disclosed
US-20230143552-A1 DOPAMINE D2 RECEPTOR LIGANDS THE BROAD INSTITUTE, INC. (US) 2023-05-11 US disclosed
US-20230143552-A1 DOPAMINE D2 RECEPTOR LIGANDS THE BROAD INSTITUTE, INC. (US) 2023-05-11 US disclosed
US-11498896-B2 Dopamine D2 receptor ligands THE BROAD INSTITUTE, INC. (US) 2022-11-15 US disclosed
US-20210147355-A1 DOPAMINE D2 RECEPTOR LIGANDS THE BROAD INSTITUTE, INC. (US) 2021-05-20 US disclosed
US-20210147355-A1 DOPAMINE D2 RECEPTOR LIGANDS THE BROAD INSTITUTE, INC. (US) 2021-05-20 US disclosed
US-10633336-B2 Dopamine D2 receptor ligands THE BROAD INSTITUTE, INC. (US) 2020-04-28 US disclosed
US-10633336-B2 Dopamine D2 receptor ligands THE BROAD INSTITUTE, INC. (US) 2020-04-28 US disclosed
US-20180155283-A1 DOPAMINE D2 RECEPTOR LIGANDS THE BROAD INSTITUTE, INC. (US) 2018-06-07 US disclosed
US-20180155283-A1 DOPAMINE D2 RECEPTOR LIGANDS THE BROAD INSTITUTE, INC. (US) 2018-06-07 US disclosed
US-20180155283-A1 DOPAMINE D2 RECEPTOR LIGANDS THE BROAD INSTITUTE, INC. (US) 2018-06-07 US disclosed
EP-3233077-A1 DOPAMINE D2 RECEPTOR LIGANDS The Broad Institute Inc. (US) 2017-10-25 EP disclosed
WO-2016100940-A1 DOPAMINE D2 RECEPTOR LIGANDS THE BROAD INSTITUTE, INC. (US) 2016-06-23 WO disclosed
WO-2016100940-A1 DOPAMINE D2 RECEPTOR LIGANDS THE BROAD INSTITUTE, INC. (US) 2016-06-23 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 (6 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-20180155283-A1 DOPAMINE D2 RECEPTOR LIGANDS DRD2, DRD3, ARRB1 NPSR1 105/4885KCNH2 1581/4885TMEM97 364/4885
US-11498896-B2 Dopamine D2 receptor ligands DRD2, SLC6A3, NTSR2 NPSR1 19/4885KCNH2 1163/4885TMEM97 230/4885
US-10633336-B2 Dopamine D2 receptor ligands DRD2, ARRB1, DRD3 NPSR1 66/4885KCNH2 1745/4885TMEM97 252/4885
US-20230143552-A1 DOPAMINE D2 RECEPTOR LIGANDS DRD2, SLC6A3, NTSR2 NPSR1 19/4885KCNH2 1163/4885TMEM97 230/4885
US-20210147355-A1 DOPAMINE D2 RECEPTOR LIGANDS DRD2, SLC6A3, NTSR2 NPSR1 19/4885KCNH2 1163/4885TMEM97 230/4885
US-12428373-B2 Dopamine D2 receptor ligands DRD2, SLC6A3, NTSR2 NPSR1 19/4885KCNH2 1163/4885TMEM97 230/4885

“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.