SCHEMBL17848618

SCHEMBL17848618

CC1CCN(CCOc2ccccc2C(F)(F)F)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.61
HTR7 P34969 3/20 0.61
DRD2 P14416 7/20 0.60
KDM4E B2RXH2 3/20 0.57
ALDH1A1 P00352 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
CYP1A2 P05177 2/20 0.57
CYP2D6 P10635 2/20 0.57
CYP2C19 P33261 2/20 0.57
HSD17B10 Q99714 1/20 0.57
KMT2A Q03164 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
LTA4H P09960 1/20 0.56
PTGS2 P35354 1/20 0.56
LMNA P02545 2/20 0.55
HTR2A P28223 3/20 0.52
HTR2C P28335 1/20 0.52
HTR2B P41595 1/20 0.52
CYP2C9 P11712 1/20 0.52
HRH3 Q9Y5N1 2/20 0.52

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
SCHEMBL17848636 0.86 HTR7 (0.61) HTR1AHTR7DRD2CYP1A2CYP2D6
SCHEMBL17848523 0.86 HTR1A (0.58) HTR1AHTR7DRD2ALDH1A1CYP1A2
SCHEMBL20224891 0.84 HTR7 (0.59) HTR1AHTR7DRD2KDM4EALDH1A1
SCHEMBL14970707 0.83 LTA4H (0.73) HTR1AHTR7DRD2KDM4EALDH1A1
SCHEMBL17848348 0.83 LTA4H (0.73) HTR1AHTR7DRD2KDM4EALDH1A1
SCHEMBL17848431 0.82 DRD2 (0.61) HTR1AHTR7DRD2ALDH1A1CYP1A2
SCHEMBL17848363 0.82 HTR7 (0.60) HTR1AHTR7DRD2KDM4EALDH1A1
SCHEMBL23366615 0.82 KDM4E (0.61) KDM4EALDH1A1SMN1; SMN2CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL14969001 0.82 LTA4H (0.71) HTR1AHTR7DRD2KDM4EALDH1A1
SCHEMBL7601343 0.81 HTR2C (0.60) HTR1AHTR7DRD2KDM4EALDH1A1

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 9 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-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-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
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 (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 HTR1A 97/4885HTR7 174/4885DRD2 1/4885
US-11498896-B2 Dopamine D2 receptor ligands DRD2, SLC6A3, NTSR2 HTR1A 86/4885HTR7 176/4885DRD2 1/4885
US-10633336-B2 Dopamine D2 receptor ligands DRD2, ARRB1, DRD3 HTR1A 144/4885HTR7 250/4885DRD2 1/4885
US-20230143552-A1 DOPAMINE D2 RECEPTOR LIGANDS DRD2, SLC6A3, NTSR2 HTR1A 86/4885HTR7 176/4885DRD2 1/4885
US-20210147355-A1 DOPAMINE D2 RECEPTOR LIGANDS DRD2, SLC6A3, NTSR2 HTR1A 86/4885HTR7 176/4885DRD2 1/4885
US-12428373-B2 Dopamine D2 receptor ligands DRD2, SLC6A3, NTSR2 HTR1A 86/4885HTR7 176/4885DRD2 1/4885

“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.