SCHEMBL18253202

SCHEMBL18253202

COC(c1ccc(C(C)(C)C)cc1)C1CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.45
IDO1 P14902 2/20 0.39
SLC6A2 P23975 2/20 0.38
HSD11B1 P28845 2/20 0.36
NPY1R P25929 1/20 0.36
NPY2R P49146 1/20 0.36
NPY4R P50391 1/20 0.36
NPY5R Q15761 1/20 0.36
TSHR P16473 1/20 0.35
FPR2 P25090 2/20 0.34
PROKR1 Q8TCW9 2/20 0.34
LMNA P02545 1/20 0.34
TYR P14679 1/20 0.34

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
SCHEMBL16979030 0.79 SLC6A4 (0.49) SLC6A4IDO1SLC6A2FPR2PROKR1
SCHEMBL11248115 0.77 SLC6A4 (0.47) SLC6A4IDO1SLC6A2FPR2PROKR1
SCHEMBL4598274 0.77 SLC6A4 (0.47) SLC6A4IDO1SLC6A2FPR2PROKR1
SCHEMBL744402 0.77 SLC6A4 (0.47) SLC6A4IDO1SLC6A2FPR2PROKR1
SCHEMBL19144912 0.76 IDO1 (0.64) SLC6A4IDO1SLC6A2FPR2PROKR1
Iodide SCHEMBL744206 0.76 SLC6A4 (0.46) SLC6A4IDO1SLC6A2FPR2PROKR1
SCHEMBL3137822 0.74 EPHX1 (0.53) SLC6A4IDO1SLC6A2FPR2PROKR1
SCHEMBL6347241 0.73 SLC6A4 (0.43) SLC6A4IDO1SLC6A2FPR2PROKR1
SCHEMBL18253219 0.73 DHODH (0.42) SLC6A4SLC6A2NPY1RNPY2RNPY4R
SCHEMBL5877391 0.73 TSHR (0.38) SLC6A4SLC6A2HSD11B1NPY1RNPY2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9828364-B2 Pyrazole compounds as BTK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-11-28 US disclosed
US-9828364-B2 Pyrazole compounds as BTK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-11-28 US disclosed
US-20160340339-A1 PYRAZOLE COMPOUNDS AS BTK INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-11-24 US disclosed
US-20160340339-A1 PYRAZOLE COMPOUNDS AS BTK INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-11-24 US 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 (1 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-20160340339-A1 PYRAZOLE COMPOUNDS AS BTK INHIBITORS BTK, SYK, LYN SLC6A4 4832/4885IDO1 592/4885SLC6A2 4865/4885

“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.