SCHEMBL19851607

SCHEMBL19851607

CC(C)COc1cc(C#N)ccc1F

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 2/20 0.45
SLC6A9 P48067 1/20 0.43
KCNH2 Q12809 1/20 0.43
GAA P10253 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MGLL Q99685 1/20 0.39
MET P08581 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL17309854 0.87 SLC6A9 (0.47) SLC6A9KCNH2GAAALDH1A1
SCHEMBL19111884 0.84 TRPV4 (0.43) TRPV4MGLLMET
SCHEMBL13143728 0.82 TRPV4 (0.42) TRPV4ALDH1A1MGLL
SCHEMBL7634010 0.81 TRPV4 (0.56) TRPV4SLC6A9ALDH1A1MGLL
SCHEMBL2527854 0.79 TRPV4 (0.40) TRPV4KCNH2MGLL
SCHEMBL2344031 0.79 XDH (0.53)
SCHEMBL12455378 0.79 MRGPRX4 (0.48) SLC6A9KCNH2GAAALDH1A1
SCHEMBL31019133 0.79 XDH (0.53)
SCHEMBL24225596 0.78 ALDH1A1 (0.44) GAAALDH1A1
SCHEMBL2636175 0.77 ALDH1A1 (0.42) SLC6A9KCNH2GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10858344-B2 Hydantoin containing deoxyuridine triphosphatase inhibitors CV6 THERAPEUTICS (NI) LIMITED (GB) 2020-12-08 US disclosed
US-10858344-B2 Hydantoin containing deoxyuridine triphosphatase inhibitors CV6 THERAPEUTICS (NI) LIMITED (GB) 2020-12-08 US disclosed
US-10807953-B2 Processes and intermediates for the preparation of Pimavanserin PLIVA HRVATSKA D.O.O. (HR) 2020-10-20 US disclosed
US-20190276401-A1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF PIMAVANSERIN PLIVA HRVATSKA D.O.O. (HR) 2019-09-12 US disclosed
US-10343993-B2 Processes and intermediates for the preparation of Pimavanserin PLIVA HRVATSKA D.O.O. (HR) 2019-07-09 US disclosed
WO-2018098206-A1 HYDANTOIN CONTAINING DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed
WO-2018098206-A1 HYDANTOIN CONTAINING DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed
US-20180037549-A1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF PIMAVANSERIN TAPI CROATIA INDUSTRIES LTD (HR) 2018-02-08 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 (5 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-10807953-B2 Processes and intermediates for the preparation of Pimavanserin PIM1, PIM3, PIM2 TRPV4 4368/4885SLC6A9 695/4885KCNH2 1769/4885
US-10858344-B2 Hydantoin containing deoxyuridine triphosphatase inhibitors DUT, TYMP, DPYD TRPV4 4781/4885SLC6A9 3719/4885KCNH2 4512/4885
US-10343993-B2 Processes and intermediates for the preparation of Pimavanserin PIM1, PIM3, PIM2 TRPV4 4368/4885SLC6A9 695/4885KCNH2 1769/4885
US-20190276401-A1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF PIMAVANSERIN PIM1, PIM3, PIM2 TRPV4 4368/4885SLC6A9 695/4885KCNH2 1769/4885
US-20180037549-A1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF PIMAVANSERIN PIM1, PIM3, PIM2 TRPV4 4368/4885SLC6A9 695/4885KCNH2 1769/4885

“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.