SCHEMBL3665755

SCHEMBL3665755

O=C1CCCc2ccc(I)cc21

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 9/20 0.53
▸ MAOB P27338 9/20 0.53
▸ CYP2A6 P11509 1/20 0.53
▸ PRKCI P41743 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ PBRM1 Q86U86 1/20 0.46
▸ TDP2 O95551 2/20 0.44
▸ HSD17B1 P14061 1/20 0.42
▸ TYMS P04818 2/20 0.41
▸ GRM5 P41594 1/20 0.40
▸ BAZ2B Q9UIF8 1/20 0.39
▸ TGM2 P21980 1/20 0.36
▸ CES1 P23141 1/20 0.36

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
SCHEMBL12500758 0.96 MAOA (0.48) MAOAMAOBCYP2A6PRKCIMEN1
SCHEMBL10138376 0.88 PBRM1 (0.59) MAOAMAOBCYP2A6PBRM1TDP2
SCHEMBL31695158 0.88 PBRM1 (0.59) MAOAMAOBCYP2A6PBRM1TDP2
SCHEMBL315147 0.84 MAOA (0.61) MAOAMAOBCYP2A6PRKCIMEN1
SCHEMBL23273176 0.80 MAOA (0.59) MAOAMAOBCYP2A6PRKCIMEN1
SCHEMBL5543621 0.78 MAOA (0.55) MAOAMAOBCYP2A6PRKCIMEN1
SCHEMBL6370185 0.77 TDP2 (0.48) MAOBPBRM1TDP2TYMSTGM2
SCHEMBL8501316 0.77 TDP2 (0.58) MAOAMAOBPBRM1TDP2TYMS
SCHEMBL18533320 0.76 TDP2 (0.37) MAOAMAOBCYP2A6TDP2TYMS
SCHEMBL769238 0.76 MAOA (0.53) MAOAMAOBCYP2A6PRKCIMEN1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230002426-A1 CHIRAL SYNTHESIS OF A TERTIARY ALCOHOL RECURIUM IP HOLDINGS, LLC 2023-01-05 — — US disclosed
WO-2021097139-A1 CHIRAL SYNTHESIS OF A TERTIARY ALCOHOL RECURIUM IP HOLDINGS, LLC (US) 2021-05-20 — — WO disclosed
US-10882865-B2 Pyrrolopyrimidine compounds and uses thereof for modulating glucocerebrosidase activity NORTHWESTERN UNIVERSITY (US) 2021-01-05 — — US disclosed
US-20200071334-A1 PYRROLOPYRIMIDINE COMPOUNDS AND USES THEREOF FOR MODULATING GLUCOCEREBROSIDASE ACTIVITY NORTHWESTERN UNIVERSITY (US) 2020-03-05 — — US disclosed
US-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2011-03-03 — — US disclosed
US-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2011-03-03 — — US disclosed
US-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2011-03-03 — — US disclosed
EP-2240029-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corp. (US) 2010-10-20 — — EP disclosed
WO-2009089305-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2009-07-16 — — WO disclosed
WO-2009089305-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2009-07-16 — — WO disclosed
EP-0513974-B1 Novel benzo-fused lactams that promote the release of growth hormone MERCK & CO INC (US) 1996-09-04 — — EP disclosed
US-5385947-A For prevention of nerve damage due to reduction of blood or oxygen supplies HOFFMANN-LA ROCHE INC. (US) 1995-01-31 — — US disclosed
EP-0606661-A1 Octahydrophenanthrene derivatives and their use as NMDA-Antagonists F. HOFFMANN-LA ROCHE AG (CH) 1994-07-20 — — EP disclosed
US-5310737-A Benzo-fused lactams that promote the release of growth hormone MERCK & CO., INC. (US) 1994-05-10 — — US disclosed
US-5206235-A Animal growth regulators; stimulants MERCK & CO., INC. (US) 1993-04-27 — — US disclosed
EP-0513974-A1 Novel benzo-fused lactams that promote the release of growth hormone MERCK & CO. INC. (US) 1992-11-19 — — EP disclosed
CN-1066070-A Promote the new benzo-fused lactams that tethelin discharges MERCK & CO INC (US) 1992-11-11 — — CN disclosed
WO-1992016524-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1992-10-01 — — WO disclosed
US-4048330-A Compositions containing 2-(6'-substituted-2'-naphthyl)acetic acid esters used for treating inflammation, pain or pyrexia SYNTEX CORPORATION (US) 1977-09-13 — — US disclosed
US-4009197-A 2-(6-Substituted-2'-naphthyl) acetic acid derivatives and the salts and esters thereof SYNTEX CORPORATION (PM) 1977-02-22 — — 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-10882865-B2 Pyrrolopyrimidine compounds and uses thereof for modulating glucocerebrosidase activity GAA, GBA1, GBA3 MAOA 1217/4885MAOB 697/4885CYP2A6 2338/4885
US-20200071334-A1 PYRROLOPYRIMIDINE COMPOUNDS AND USES THEREOF FOR MODULATING GLUCOCEREBROSIDASE ACTIVITY GAA, GBA3, GBA1 MAOA 1147/4885MAOB 608/4885CYP2A6 2162/4885
US-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES TSLP, NFATC1, IL5 MAOA 2191/4885MAOB 2102/4885CYP2A6 796/4885
US-20230002426-A1 CHIRAL SYNTHESIS OF A TERTIARY ALCOHOL ADH1A, ADH1C, ADH5 MAOA 2803/4885MAOB 1691/4885CYP2A6 87/4885

“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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