SCHEMBL18069561

SCHEMBL18069561

CCCOc1ccc(C(=O)CN2CCN(CC)CC2)cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1

nearest known ligand 0.77

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.77
PDE6C P51160 2/20 0.77
HDAC1 Q13547 5/20 0.58
HDAC6 Q9UBN7 5/20 0.58
HDAC2 Q92769 4/20 0.58
HDAC3 O15379 1/20 0.57
NCOR2 Q9Y618 1/20 0.57
PDE3B Q13370 1/20 0.57
PDE3A Q14432 1/20 0.57

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
SCHEMBL7959160 0.95 PDE5A (0.77) PDE5APDE6CHDAC1HDAC6HDAC2
SCHEMBL2693448 0.94 PDE5A (0.85) PDE5APDE6CHDAC1HDAC6HDAC2
SCHEMBL29357402 0.94 PDE5A (0.85) PDE5APDE6CHDAC1HDAC6HDAC2
SCHEMBL29611957 0.92 PDE5A (0.90) PDE5APDE6CHDAC1HDAC6HDAC2
SCHEMBL146830 0.92 PDE5A (0.90) PDE5APDE6CHDAC1HDAC6HDAC2
SCHEMBL25013469 0.90 PDE5A (0.85) PDE5APDE6CHDAC1HDAC6HDAC2
SCHEMBL30199753 0.90 PDE5A (0.85) PDE5APDE6CHDAC1HDAC6HDAC2
SCHEMBL7965731 0.89 PDE5A (0.84) PDE5APDE6CHDAC1HDAC6HDAC2
SCHEMBL28482244 0.88 PDE5A (0.83) PDE5APDE6CHDAC1HDAC6HDAC2
SCHEMBL7964961 0.88 PDE5A (0.85) PDE5APDE6CHDAC1HDAC6HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210289832-A1 LIPOPHILIC ACTIVE AGENT INFUSED TOBACCO LEAVES AND/OR TOBACCO MATERIALS AND METHODS OF USE THEREOF Poviva Corp. (US) 2021-09-23 US disclosed
US-20210145036-A1 LIPOPHILIC ACTIVE AGENT INFUSED COMPOSITIONS WITH REDUCED FOOD EFFECT Poviva Corp. 2021-05-20 US disclosed
US-20200323773-A1 FOOD AND BEVERAGE COMPOSITIONS COMPRISING PDE5 INHIBITORS Poviva Corp. 2020-10-15 US disclosed
US-20200178572-A1 MICROWAVE PROCESSING METHODS FOR FORMULATING ORALLY INGESTIBLE COMPOSITIONS COMPRISING LIPOPHILIC ACTIVE AGENTS Poviva Corp. 2020-06-11 US disclosed
US-20160263120-A1 TREATMENT OF ERECTILE DYSFUNCTION AND OTHER INDICATIONS STRATEGIC SCIENCE & TECHNOLOGIES, LLC (US) 2016-09-15 US disclosed
US-20160263120-A1 TREATMENT OF ERECTILE DYSFUNCTION AND OTHER INDICATIONS STRATEGIC SCIENCE & TECHNOLOGIES, LLC (US) 2016-09-15 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 (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-20160263120-A1 TREATMENT OF ERECTILE DYSFUNCTION AND OTHER INDICATIONS PDE5A, PDE3A, PDE12 PDE5A 1/4885PDE6C 21/4885HDAC1 2431/4885
US-20200323773-A1 FOOD AND BEVERAGE COMPOSITIONS COMPRISING PDE5 INHIBITORS PDE5A, PDE3A, PDE3B PDE5A 1/4885PDE6C 24/4885HDAC1 1031/4885
US-20200178572-A1 MICROWAVE PROCESSING METHODS FOR FORMULATING ORALLY INGESTIBLE COMPOSITIONS COMPRISING LIPOPHILIC ACTIVE AGENTS PNLIP, LIPC, LIPA PDE5A 2615/4885PDE6C 2592/4885HDAC1 2159/4885
US-20210145036-A1 LIPOPHILIC ACTIVE AGENT INFUSED COMPOSITIONS WITH REDUCED FOOD EFFECT LIPC, PNLIP, LIPA PDE5A 2948/4885PDE6C 3469/4885HDAC1 1170/4885

“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.