SCHEMBL22265752

SCHEMBL22265752

FC(F)(F)c1ccccc1OCC1CCNCC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.51
SLC6A4 P31645 6/20 0.51
HTR1A P08908 1/20 0.51
SLC6A3 Q01959 1/20 0.51
HTR2C P28335 2/20 0.50
HTR3A P46098 1/20 0.49
KCNH2 Q12809 1/20 0.49
TRPA1 O75762 1/20 0.46
TRPM8 Q7Z2W7 1/20 0.46
TRPV1 Q8NER1 1/20 0.46
TTR P02766 4/20 0.46
RBP4 P02753 3/20 0.46
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
SSTR4 P31391 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
Hydrochloric Acid SCHEMBL1477666 0.98 HTR2C (0.51) SLC6A2SLC6A4HTR1ASLC6A3HTR2C
SCHEMBL3895127 0.92 SLC6A2 (0.53) SLC6A2SLC6A4HTR1ASLC6A3HTR2C
SCHEMBL26712604 0.91 SLC6A2 (0.51) SLC6A2SLC6A4HTR1ASLC6A3HTR2C
SCHEMBL25312528 0.91 SLC6A2 (0.51) SLC6A2SLC6A4HTR1ASLC6A3HTR2C
SCHEMBL7889446 0.91 SLC6A2 (0.51) SLC6A2SLC6A4HTR1ASLC6A3HTR2C
SCHEMBL3895131 0.86 SLC6A2 (0.52) SLC6A2SLC6A4HTR1ASLC6A3HTR2C
SCHEMBL13034299 0.85 RBP4 (0.50) SLC6A2SLC6A4SLC6A3HTR3AKCNH2
SCHEMBL2297017 0.84 SSTR4 (0.52) SLC6A2SLC6A4HTR1ASLC6A3TRPA1
SCHEMBL31071579 0.84 CTSS (0.49) SLC6A2SLC6A4HTR1ASLC6A3HTR2C
Hydrochloric Acid SCHEMBL3103947 0.84 TDP1 (0.50) SLC6A2SLC6A4HTR2CHTR3AKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12268687-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2025-04-08 US disclosed
US-20250034125-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2025-01-30 US disclosed
US-20250034124-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2025-01-30 US disclosed
US-12098146-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-09-24 US disclosed
US-20230116101-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. 2023-04-13 US disclosed
CN-113906019-A Compound and use thereof 优曼尼蒂治疗公司 2022-01-07 CN disclosed
EP-3914593-A1 COMPOUNDS AND USES THEREOF Yumanity Therapeutics, Inc. (US) 2021-12-01 EP disclosed
WO-2021097240-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2021-05-20 WO disclosed
WO-2021097240-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2021-05-20 WO disclosed
US-20210139471-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2021-05-13 US disclosed
US-20210139471-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2021-05-13 US disclosed
WO-2020154571-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-07-30 WO disclosed
WO-2020154571-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-07-30 WO disclosed
CN-100389113-C Nitrogen-containing heterocyclic compound and drug containing same EISAI CO LTD (JP) 2008-05-21 CN disclosed
CN-1630650-A Nitrogen-containing heterocyclic compound and drug containing same EISAI CO LTD (JP) 2005-06-22 CN 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-20250034124-A1 COMPOUNDS AND USES THEREOF NLN, BDNF, NQO1 SLC6A2 520/4885SLC6A4 451/4885HTR1A 2446/4885
US-12268687-B2 Compounds and uses thereof NLN, BDNF, NQO1 SLC6A2 520/4885SLC6A4 451/4885HTR1A 2446/4885
US-20230116101-A1 COMPOUNDS AND USES THEREOF NLN, BDNF, NQO1 SLC6A2 520/4885SLC6A4 451/4885HTR1A 2446/4885
US-20250034125-A1 COMPOUNDS AND USES THEREOF NLN, BDNF, NQO1 SLC6A2 520/4885SLC6A4 451/4885HTR1A 2446/4885
US-20210139471-A1 COMPOUNDS AND USES THEREOF NLN, BDNF, NQO1 SLC6A2 520/4885SLC6A4 451/4885HTR1A 2446/4885
US-12098146-B2 Compounds and uses thereof NLN, BDNF, NQO1 SLC6A2 520/4885SLC6A4 451/4885HTR1A 2446/4885

“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.