SCHEMBL17848683

SCHEMBL17848683

CC1(C(=O)c2ccccc2)CCN(C(=O)C(F)(F)F)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.44
KDM1A O60341 1/20 0.43
HSD11B1 P28845 1/20 0.40
CYP3A4 P08684 3/20 0.40
TSHR P16473 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CES1 P23141 1/20 0.40
USP2 O75604 2/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CHRM2 P08172 2/20 0.39
CHRM3 P20309 2/20 0.39
LMNA P02545 1/20 0.39
CHRM1 P11229 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
SCHEMBL27099785 0.79 MGLL (0.43) MGLLKDM1AHSD11B1CYP3A4TSHR
SCHEMBL17848693 0.77 KDM4E (0.51) TSHRALDH1A1CHRM2CHRM3LMNA
SCHEMBL8151048 0.77 LMNA (0.48) CYP3A4TSHRALDH1A1CES1MAPK1
SCHEMBL6159060 0.74 ALDH1A1 (0.50) HSD11B1ALDH1A1LMNA
SCHEMBL14421361 0.73 LMNA (0.46) CYP3A4TSHRALDH1A1CES1LMNA
SCHEMBL6159810 0.73 OPRM1 (0.42) MGLLKDM1AHSD11B1MAPK1CHRM2
SCHEMBL4634402 0.73 GPR183 (0.39) HSD11B1CYP3A4ALDH1A1CYP2D6CYP2C9
SCHEMBL402908 0.72 CETP (0.46) CYP3A4TSHRALDH1A1CES1LMNA
SCHEMBL6673592 0.71 SETD7 (0.53) KDM1ACYP2D6CES1MAPK1CHRM2
SCHEMBL6160184 0.70 ALDH1A1 (0.63) KDM1AALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 MGLL 1999/4885KDM1A 4591/4885HSD11B1 2084/4885
US-10633336-B2 Dopamine D2 receptor ligands DRD2, ARRB1, DRD3 MGLL 2334/4885KDM1A 4695/4885HSD11B1 1404/4885
US-20230143552-A1 DOPAMINE D2 RECEPTOR LIGANDS DRD2, SLC6A3, NTSR2 MGLL 2137/4885KDM1A 4335/4885HSD11B1 1865/4885
US-20210147355-A1 DOPAMINE D2 RECEPTOR LIGANDS DRD2, SLC6A3, NTSR2 MGLL 2137/4885KDM1A 4335/4885HSD11B1 1865/4885

“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.