SCHEMBL18290660

SCHEMBL18290660

O=C(c1ccc(CC(F)(F)F)cc1)C1CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 4/20 0.47
▸ HTR2C P28335 3/20 0.47
▸ HTR7 P34969 2/20 0.47
▸ HTR6 P50406 2/20 0.47
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ KDM2B Q8NHM5 1/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.42
▸ HSD11B1 P28845 2/20 0.41
▸ HTR2B P41595 1/20 0.41
▸ SRD5A2 P31213 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MGLL Q99685 1/20 0.40

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
SCHEMBL6109342 0.81 NPC1 (0.46) HTR2AHTR2CHTR7HTR6NPC1
SCHEMBL19754954 0.79 KMT2A (0.53) HTR2AHTR2CHTR7HTR6NPC1
SCHEMBL22868058 0.77 SRD5A2 (0.50) SRD5A2LMNAMAPT
SCHEMBL18285763 0.76 HSD11B1 (0.41) HTR2AHTR2CHTR7HTR6HSD11B1
SCHEMBL3678830 0.76 MGLL (0.56) HTR2AHTR2CHTR7HTR6NPC1
SCHEMBL3676771 0.76 CES2 (0.50) HTR2AHTR2CHTR7HTR6NPC1
SCHEMBL7498931 0.76 HDAC3 (0.50) HTR2AHTR2CHTR7HTR6NPC1
SCHEMBL14156622 0.76 CA1 (0.53) HTR2AHTR2CHTR7HTR6NPC1
SCHEMBL4023293 0.76 HSD11B1 (0.63) KDM2BHSD11B1SRD5A2LMNAMAPT
SCHEMBL1505324 0.75 ALDH1A1 (0.59) SRD5A2TP53MAPTL3MBTL1

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-3302486-B1 DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME (US) 2020-09-30 — — EP disclosed
EP-3302486-B1 DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME (US) 2020-09-30 — — EP disclosed
US-10174037-B2 Dihydropyrazolopyrimidinone compounds as PDE2 inhibitors MERCK SHARP & DOHME CORP. (US) 2019-01-08 — — US disclosed
US-10174037-B2 Dihydropyrazolopyrimidinone compounds as PDE2 inhibitors MERCK SHARP & DOHME CORP. (US) 2019-01-08 — — US disclosed
US-20180148453-A1 DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-05-31 — — US disclosed
US-20180148453-A1 DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-05-31 — — US disclosed
WO-2016196417-A1 DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-12-08 — — 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 (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-20180148453-A1 DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS PDE12, PDE2A, PDE4D HTR2A 296/4885HTR2C 242/4885HTR7 911/4885
US-10174037-B2 Dihydropyrazolopyrimidinone compounds as PDE2 inhibitors PDE12, PDE2A, PDE4D HTR2A 296/4885HTR2C 242/4885HTR7 911/4885

“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.

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