SCHEMBL2274203

SCHEMBL2274203

OC1(c2ccc(Cl)c(F)c2)CCNCC1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.59
SLC6A3 Q01959 6/20 0.45
CCR1 P32246 1/20 0.44
SLC6A4 P31645 13/20 0.42
SLC6A2 P23975 10/20 0.42
PRKAB2 O43741 1/20 0.40
PRKAG1 P54619 1/20 0.40
PRKAA2 P54646 1/20 0.40
PRKAA1 Q13131 1/20 0.40
PRKAG3 Q9UGI9 1/20 0.40
PRKAG2 Q9UGJ0 1/20 0.40
PRKAB1 Q9Y478 1/20 0.40
OPRL1 P41146 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
SCHEMBL17186769 0.88 SLC6A3 (0.51) DRD2SLC6A3CCR1SLC6A4SLC6A2
SCHEMBL2272062 0.87 DRD2 (0.64) DRD2SLC6A3CCR1SLC6A4SLC6A2
Tert-Butyl Formate SCHEMBL28114797 0.84 DRD2 (0.43) DRD2SLC6A3CCR1SLC6A4SLC6A2
SCHEMBL3631907 0.84 SLC6A3 (0.57) DRD2SLC6A3CCR1SLC6A4SLC6A2
SCHEMBL654759 0.84 DRD2 (0.65) DRD2SLC6A3SLC6A4SLC6A2
SCHEMBL3628532 0.84 SLC6A3 (0.53) DRD2SLC6A3CCR1SLC6A4SLC6A2
SCHEMBL533971 0.84 DRD2 (0.59) DRD2SLC6A3SLC6A4SLC6A2PRKAB2
SCHEMBL11990151 0.83 SLC6A3 (0.59) SLC6A3CCR1SLC6A4SLC6A2PRKAB2
Hydrochloric Acid SCHEMBL22616883 0.83 DRD2 (0.58) DRD2SLC6A3SLC6A4SLC6A2
SCHEMBL747357 0.81 DRD2 (0.51) DRD2PRKAB2PRKAG1PRKAA2PRKAA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023102022-A1 4-PHENYL-2-(1H-1,2,3-TRIAZOL-4-YL)PIPERIDIN-4-OL DERIVATIVES AS INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-06-08 WO disclosed
EP-1714961-B1 INDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2015-12-09 EP disclosed
US-7994196-B2 Indazole compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-08-09 US disclosed
US-7994196-B2 Indazole compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-08-09 US disclosed
US-7994196-B2 Indazole compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-08-09 US disclosed
US-7576218-B2 4-phenylpiperdine-pyrazole CCR1 antagonists CHEMOCENTRYX, INC. (US) 2009-08-18 US disclosed
US-20070173537-A1 Indazole compound and pharmaceutical use thereof MITSUBISHI PHARMA CORPORATION (JP) 2007-07-26 US disclosed
US-20070173537-A1 Indazole compound and pharmaceutical use thereof MITSUBISHI PHARMA CORPORATION (JP) 2007-07-26 US disclosed
US-20070173537-A1 Indazole compound and pharmaceutical use thereof MITSUBISHI PHARMA CORPORATION (JP) 2007-07-26 US disclosed
US-20070088036-A1 Piperidine derivatives and methods of use CHEMOCENTRYX, INC. (US) 2007-04-19 US disclosed
EP-1714961-A1 INDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2006-10-25 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 (2 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-20070173537-A1 Indazole compound and pharmaceutical use thereof CYP3A5, CYP3A43, TP53 DRD2 3805/4885SLC6A3 331/4885CCR1 3991/4885
US-20070088036-A1 Piperidine derivatives and methods of use CCR1, CCR3, CCR4 DRD2 613/4885SLC6A3 4432/4885CCR1 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.