SCHEMBL13974997

SCHEMBL13974997

COCCN1CC[C@H](c2cccc(F)c2)C1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.51
DRD3 P35462 8/20 0.51
DRD4 P21917 8/20 0.49
HTR1A P08908 7/20 0.49
DRD1 P21728 7/20 0.49
DRD5 P21918 7/20 0.49
LIPE Q05469 1/20 0.47
RECQL P46063 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL21147738 1.00 DRD2 (0.51) DRD2DRD3DRD4HTR1ADRD1
SCHEMBL30010653 1.00 DRD2 (0.51) DRD2DRD3DRD4HTR1ADRD1
SCHEMBL21936084 0.86 NTRK1 (0.43) DRD2DRD3DRD4HTR1ADRD1
SCHEMBL13858452 0.86 NTRK1 (0.43) DRD2DRD3DRD4HTR1ADRD1
SCHEMBL22415911 0.84 DRD2 (0.51) DRD2DRD3DRD4HTR1ADRD1
SCHEMBL22415904 0.83 DRD2 (0.65) DRD2DRD3DRD4HTR1ADRD1
SCHEMBL13975017 0.83 DRD2 (0.65) DRD2DRD3DRD4HTR1ADRD1
SCHEMBL30010274 0.83 DRD2 (0.50) DRD2DRD3HTR1ADRD1DRD5
SCHEMBL22415828 0.83 DRD2 (0.50) DRD2DRD3HTR1ADRD1DRD5
SCHEMBL21148130 0.83 SLC18A3 (0.57) DRD2DRD3DRD4DRD1DRD5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3154959-B1 1-((3S,4R)-4-(3-FLUOROPHENYL)-1-(2-METHOXYETHYL)PYRROLIDIN-3-YL)-3-(4-METHYL-3-(2-METHYLPYRIMIDIN-5-YL)-1-PHENYL-1H-PYRAZOL-5-YL)UREA AS A TRKA KINASE INHIBITOR ARRAY BIOPHARMA INC (US) 2019-07-10 EP disclosed
US-10336723-B2 Inhibitors of TrkA kinase GVK BIOSCIENCES PRIVATE LIMITED (IN) 2019-07-02 US disclosed
US-10323022-B2 Pyrrolidinyl urea, pyrrolidinyl thiourea and pyrrolidinyl guanidine compounds as TrkA kinase inhibitors ARRAY BIOPHARMA INC. (US) 2019-06-18 US disclosed
US-9878997-B2 Pyrrolidinyl urea, pyrrolidinyl thiourea and pyrrolidinyl guanidine compounds as TrkA kinase inhibitors ARRAY BIOPHARMA INC. (US) 2018-01-30 US disclosed
US-20170217936-A1 PYRROLIDINYL UREA, PYRROLIDINYL THIOUREA AND PYRROLIDINYL GUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2017-08-03 US disclosed
US-9562055-B2 Pyrrolidinyl urea, pyrrolidinyl thiourea and pyrrolidinyl guanidine compounds as TrkA kinase inhibitors ARRAY BIOPHARMA INC. (US) 2017-02-07 US disclosed
WO-2012158413-A2 PYRROLIDINYL UREA AND PYRROLIDINYL THIOUREA COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2012-11-22 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 (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-10323022-B2 Pyrrolidinyl urea, pyrrolidinyl thiourea and pyrrolidinyl guanidine compounds as TrkA kinase inhibitors RET, TK1, DSTYK DRD2 3427/4885DRD3 3544/4885DRD4 3158/4885
US-10336723-B2 Inhibitors of TrkA kinase NGFR, EDNRA, NGF DRD2 2967/4885DRD3 2323/4885DRD4 3436/4885
US-20170217936-A1 PYRROLIDINYL UREA, PYRROLIDINYL THIOUREA AND PYRROLIDINYL GUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS RET, TK1, DSTYK DRD2 3427/4885DRD3 3544/4885DRD4 3158/4885

“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.