SCHEMBL3492585

SCHEMBL3492585

O=c1[nH]c(Cc2ccccc2OC(F)(F)F)nc2c(C3CCCC3)n[nH]c12

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PDE1A P54750 6/20 0.56
▸ PDE1B Q01064 6/20 0.56
▸ PDE1C Q14123 6/20 0.56
▸ PDE9A O76083 4/20 0.56
▸ PDE5A O76074 3/20 0.38
▸ HCAR1 Q9BXC0 1/20 0.37
▸ POLB P06746 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ ADORA2A P29274 4/20 0.35
▸ DPP4 P27487 1/20 0.35
▸ CYP2C9 P11712 1/20 0.34
▸ EPHX2 P34913 1/20 0.34
▸ CYP2J2 P51589 1/20 0.34
▸ S1PR1 P21453 1/20 0.34
▸ TACR1 P25103 1/20 0.34
▸ PDE2A O00408 1/20 0.34
▸ TRPC5 Q9UL62 1/20 0.33

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
SCHEMBL6365889 0.88 PNP (0.44) PDE1APDE1BPDE1CPDE9APDE5A
SCHEMBL6366302 0.86 PDE1A (0.41) PDE1APDE1BPDE1CPDE9APDE5A
SCHEMBL6374090 0.86 PDE1A (0.48) PDE1APDE1BPDE1CPDE9APDE5A
SCHEMBL6366342 0.86 AR (0.42) PDE1APDE1BPDE1CPDE9ACYP2C9
SCHEMBL6366723 0.85 AR (0.39) PDE1APDE1BPDE1CPDE9A
SCHEMBL3493454 0.85 PDE1C (0.57) PDE1APDE1BPDE1CPDE9APDE5A
SCHEMBL6366319 0.83 KDM4E (0.48) PDE1APDE1BPDE1CPDE9A
SCHEMBL6366854 0.83 CCR2 (0.39) PDE1APDE1BPDE1CPDE9APDE5A
SCHEMBL7039453 0.81 PDE9A (0.61) PDE1APDE1BPDE1CPDE9APDE5A
SCHEMBL7039414 0.80 PDE9A (0.59) PDE1APDE1BPDE1CPDE9APDE5A

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
EP-1440073-A1 PDE9 INHIBITORS FOR TREATING CARDIOVASCULAR DISORDERS Pfizer Limited (GB) 2004-07-28 — — EP claimed
US-20030195205-A1 PDE9 inhibitors for treating cardiovascular disorders PFIZER INC. 2003-10-16 — — US claimed
WO-2003037899-A1 PDE9 INHIBITORS FOR TREATING CARDIOVASCULAR DISORDERS PFIZER LIMITED (GB) 2003-05-08 — — WO claimed
US-20100113484-A1 TREATING AGENT OF UROPATHY ASKA PHARMACEUTICAL CO., LTD. (JP) 2010-05-06 — — US disclosed
EP-2123301-A1 THERAPEUTIC AGENT FOR URINARY TRACT DISEASE ASKA Pharmaceutical Co., Ltd. (JP) 2009-11-25 — — EP disclosed
US-6967204-B2 Treatment of insulin resistance syndrome and type 2 diabetes with PDE9 inhibitors PFIZER INC (US) 2005-11-22 — — US disclosed
US-20050070557-A1 Treatment of insulin resistance syndrome and type 2 diabetes with PDE9 inhibitors PFIZER INC 2005-03-31 — — US disclosed
EP-1440073-A1 PDE9 INHIBITORS FOR TREATING CARDIOVASCULAR DISORDERS Pfizer Limited (GB) 2004-07-28 — — EP disclosed
US-20040023989-A1 Treatment of insulin resistance syndrome and type 2 diabetes with PDE9 inhibitors FRYBURG DAVID A (US) 2004-02-05 — — US disclosed
US-20030195205-A1 PDE9 inhibitors for treating cardiovascular disorders PFIZER INC. 2003-10-16 — — US disclosed
WO-2003037899-A1 PDE9 INHIBITORS FOR TREATING CARDIOVASCULAR DISORDERS PFIZER LIMITED (GB) 2003-05-08 — — 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 (4 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-20100113484-A1 TREATING AGENT OF UROPATHY BPHL, PDE12, UROD PDE1A 44/4885PDE1B 41/4885PDE1C 101/4885
US-20030195205-A1 PDE9 inhibitors for treating cardiovascular disorders PDE9A, PDE2A, PDE3A PDE1A 62/4885PDE1B 50/4885PDE1C 42/4885
US-20050070557-A1 Treatment of insulin resistance syndrome and type 2 diabetes with PDE9 inhibitors GPR119, PDE2A, PDE9A PDE1A 46/4885PDE1B 39/4885PDE1C 41/4885
US-20040023989-A1 Treatment of insulin resistance syndrome and type 2 diabetes with PDE9 inhibitors GPR119, PDE2A, PDE9A PDE1A 46/4885PDE1B 39/4885PDE1C 41/4885

“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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