SCHEMBL16962148

SCHEMBL16962148

Cc1ccc(C2CC2)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.43
SLC6A4 P31645 5/20 0.43
SLC6A3 Q01959 4/20 0.43
HTR1A P08908 2/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
OPRL1 P41146 8/20 0.40
DRD4 P21917 1/20 0.38
ACHE P22303 1/20 0.38
NOTUM Q6P988 1/20 0.37
HTR2C P28335 1/20 0.36
PDE2A O00408 1/20 0.36

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
SCHEMBL18503369 0.92 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3HTR1ACHRNB2
SCHEMBL13499926 0.92 PTGDR2 (0.42) SLC6A2SLC6A4SLC6A3HTR1ACHRNB2
SCHEMBL14864497 0.90 PTGDR2 (0.44) SLC6A2SLC6A4SLC6A3HTR1ACHRNB2
SCHEMBL24632926 0.88 OPRL1 (0.40) SLC6A2SLC6A4SLC6A3HTR1ACHRNB2
SCHEMBL19621290 0.88 OPRL1 (0.42) SLC6A2SLC6A4SLC6A3HTR1ACHRNB2
SCHEMBL12917728 0.88 PDE2A (0.37) SLC6A2SLC6A4SLC6A3HTR1ACHRNB2
SCHEMBL18503370 0.88 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3HTR1ACHRNB2
SCHEMBL19088439 0.87 OPRL1 (0.45) SLC6A2SLC6A4SLC6A3HTR1ACHRNB2
SCHEMBL10266582 0.87 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3HTR1ACHRNB2
SCHEMBL30915 0.86 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3HTR1ACHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024019957-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES CELGENE CORPORATION (US) 2024-01-25 WO disclosed
US-20230234925-A1 GPR52 MODULATORS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. 2023-07-27 US disclosed
US-20230234925-A1 GPR52 MODULATORS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. 2023-07-27 US disclosed
WO-2022198196-A1 INHIBITORS OF GLYCOGEN SYNTHASE 1 (GYS1) AND METHODS OF USE THEREOF MAZE THERAPEUTICS, INC. (US) 2022-09-22 WO disclosed
WO-2022140555-A1 CARBOXYLIC ACID CONTAINING INDANYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES CELGENE CORPORATION (US) 2022-06-30 WO disclosed
WO-2021216705-A1 GPR52 MODULATORS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. (US) 2021-10-28 WO disclosed
WO-2017155844-A1 HEPATITIS B ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. (US) 2017-09-14 WO disclosed
US-9758492-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 US disclosed
US-20170253609-A1 HEPATITIS B ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2017-09-07 US disclosed
EP-3039020-B1 IDO INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-07-19 EP disclosed
US-20160200674-A1 IDO INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-07-14 US disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP 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 (3 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-20160200674-A1 IDO INHIBITORS IDO1, IDO2, INMT SLC6A2 2639/4885SLC6A4 1687/4885SLC6A3 2326/4885
US-20230234925-A1 GPR52 MODULATORS AND METHODS OF USE GPR52, GPR68, GPR35 SLC6A2 366/4885SLC6A4 608/4885SLC6A3 739/4885
US-20170253609-A1 HEPATITIS B ANTIVIRAL AGENTS HAVCR2, PYGL, SLC10A1 SLC6A2 4460/4885SLC6A4 4614/4885SLC6A3 4587/4885

“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.