SCHEMBL20598164

SCHEMBL20598164

CCc1ccc(C(=O)Nc2nnc(-c3ccc4c(c3)CCCC4)o2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ADCY1 Q08828 15/20 1.00
▸ ADCY8 P40145 13/20 1.00
▸ SMN1; SMN2 Q16637 4/20 0.76
▸ HTT P42858 4/20 0.76
▸ TDP1 Q9NUW8 4/20 0.76
▸ LMNA P02545 3/20 0.76
▸ MAPT P10636 3/20 0.76
▸ MEN1 O00255 2/20 0.76
▸ KMT2A Q03164 2/20 0.76
▸ KDM4E B2RXH2 2/20 0.76
▸ RAB9A P51151 3/20 0.70
▸ NPC1 O15118 1/20 0.68
▸ ALDH1A1 P00352 2/20 0.62
▸ GFER P55789 1/20 0.62

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
SCHEMBL20597882 0.89 ADCY1 (1.00) ADCY1ADCY8SMN1; SMN2HTTTDP1
SCHEMBL17716957 0.89 ADCY1 (0.83) ADCY1ADCY8SMN1; SMN2HTTTDP1
SCHEMBL20597900 0.87 ADCY1 (1.00) ADCY1ADCY8SMN1; SMN2HTTTDP1
SCHEMBL20597850 0.87 ADCY1 (1.00) ADCY1ADCY8SMN1; SMN2HTTTDP1
SCHEMBL20598207 0.87 ADCY1 (1.00) ADCY1ADCY8SMN1; SMN2HTTTDP1
SCHEMBL21628055 0.86 ADCY1 (1.00) ADCY1ADCY8SMN1; SMN2HTTTDP1
SCHEMBL20598399 0.86 ADCY1 (1.00) ADCY1ADCY8SMN1; SMN2HTTTDP1
SCHEMBL17717086 0.84 SMN1; SMN2 (0.81) ADCY1ADCY8SMN1; SMN2HTTTDP1
SCHEMBL20598217 0.83 ADCY1 (1.00) ADCY1ADCY8SMN1; SMN2HTTTDP1
SCHEMBL17717038 0.82 ADCY1 (0.87) ADCY1ADCY8SMN1; SMN2HTTTDP1

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-20200031785-A1 METHODS FOR TREATING CHRONIC PAIN AND OPIOID DEPENDENCE USING ADENYLYL CYCLASE INHIBITORS PURDUE RESEARCH FOUNDATION (US) 2020-01-30 — — US disclosed
US-20200031785-A1 METHODS FOR TREATING CHRONIC PAIN AND OPIOID DEPENDENCE USING ADENYLYL CYCLASE INHIBITORS PURDUE RESEARCH FOUNDATION (US) 2020-01-30 — — US disclosed
US-10457653-B2 Adenylyl cyclase inhibitors for chronic pain and opioid dependence PURDUE RESEARCH FOUNDATION (US) 2019-10-29 — — US disclosed
US-10457653-B2 Adenylyl cyclase inhibitors for chronic pain and opioid dependence PURDUE RESEARCH FOUNDATION (US) 2019-10-29 — — US disclosed
US-20190002418-A1 ADENYLYL CYCLASE INHIBITORS FOR CHRONIC PAIN AND OPIOID DEPENDENCE PURDUE RESEARCH FOUNDATION (US) 2019-01-03 — — US disclosed
US-20190002418-A1 ADENYLYL CYCLASE INHIBITORS FOR CHRONIC PAIN AND OPIOID DEPENDENCE PURDUE RESEARCH FOUNDATION (US) 2019-01-03 — — 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 (3 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-20190002418-A1 ADENYLYL CYCLASE INHIBITORS FOR CHRONIC PAIN AND OPIOID DEPENDENCE CAP1, OPRK1, OPRL1 ADCY1 4/4885ADCY8 13/4885SMN1; SMN2 3527/4885
US-10457653-B2 Adenylyl cyclase inhibitors for chronic pain and opioid dependence CAP1, ADCY1, OPRK1 ADCY1 2/4885ADCY8 14/4885SMN1; SMN2 2919/4885
US-20200031785-A1 METHODS FOR TREATING CHRONIC PAIN AND OPIOID DEPENDENCE USING ADENYLYL CYCLASE INHIBITORS ADCY1, CAP1, ADCY2 ADCY1 1/4885ADCY8 11/4885SMN1; SMN2 975/4885

“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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