SCHEMBL14925144

SCHEMBL14925144

O=Cc1cc2c(cc1O)CNCC2

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ADCY6 O43306 1/20 0.52
▸ ADCY3 O60266 1/20 0.52
▸ ADCY9 O60503 1/20 0.52
▸ ADCY5 O95622 1/20 0.52
▸ ADCY8 P40145 1/20 0.52
▸ ADCY7 P51828 1/20 0.52
▸ ADCY2 Q08462 1/20 0.52
▸ ADCY1 Q08828 1/20 0.52
▸ ADCY4 Q8NFM4 1/20 0.52
▸ PNMT P11086 4/20 0.41
▸ ADRA2A P08913 2/20 0.41
▸ ADRA2B P18089 2/20 0.41
▸ ADRA2C P18825 2/20 0.41
▸ ASIC3 Q9UHC3 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
SCHEMBL14925149 1.00 ADCY6 (0.52) ADCY6ADCY3ADCY9ADCY5ADCY8
Bromide SCHEMBL14917356 0.98 ADCY6 (0.50) ADCY6ADCY3ADCY9ADCY5ADCY8
Bromide SCHEMBL30406608 0.98 ADCY6 (0.50) ADCY6ADCY3ADCY9ADCY5ADCY8
Bromide SCHEMBL14917391 0.98 ADCY6 (0.50) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL232676 0.81 ADCY6 (0.77) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL30578821 0.81 ADCY6 (0.77) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL30578817 0.81 ADCY6 (0.77) ADCY6ADCY3ADCY9ADCY5ADCY8
Bromide SCHEMBL3503361 0.79 ADCY6 (0.74) ADCY6ADCY3ADCY9ADCY5ADCY8
Hydrochloric Acid SCHEMBL3322965 0.79 ADCY6 (0.74) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL19599676 0.79 PNMT (0.37) PNMTADRA2AADRA2BADRA2CASIC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11337956-B2 IRE-1α inhibitors FOSUN ORINOVE PHARMATECH, INC. (CN) 2022-05-24 — — US disclosed
EP-3799870-A1 IRE-1A INHIBITORS Fosun Orinove Pharmatech, Inc. (CN) 2021-04-07 — — EP disclosed
EP-3409276-B1 IRE-1A INHIBITORS FOSUN ORINOVE PHARMATECH INC (CN) 2020-12-30 — — EP disclosed
US-20190314330-A1 IRE-1ALPHA INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2019-10-17 — — US disclosed
CN-110172051-A IRE-1 alpha inhibitor 复星弘创(苏州)医药科技有限公司 2019-08-27 — — CN disclosed
US-10357475-B2 IRE-1α inhibitors FOSUN ORINOVE PHARMATECH, INC. (CN) 2019-07-23 — — US disclosed
CN-107082770-B IRE-1 alpha inhibitor 复星弘创(苏州)医药科技有限公司 2019-04-23 — — CN disclosed
US-9867803-B2 IRE-1α inhibitors SHANGHAI FOSUN PHARMACEUTICAL INDUSTRIAL DEVELOPMENT CO. LTD. (CN) 2018-01-16 — — US disclosed
US-9867803-B2 IRE-1α inhibitors SHANGHAI FOSUN PHARMACEUTICAL INDUSTRIAL DEVELOPMENT CO. LTD. (CN) 2018-01-16 — — US disclosed
US-20170326104-A1 IRE-1ALPHA INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2017-11-16 — — US disclosed
CN-107082770-A The alpha inhibitors of IRE 1 上海复星医药产业发展有限公司 2017-08-22 — — CN disclosed
US-9693992-B2 IRE-1α inhibitors MANNKIND CORPORATION (US) 2017-07-04 — — US disclosed
US-9693992-B2 IRE-1α inhibitors MANNKIND CORPORATION (US) 2017-07-04 — — US disclosed
US-9040714-B2 IRE-1α inhibitors MANNKIND CORPORATION (US) 2015-05-26 — — US disclosed
US-9040714-B2 IRE-1α inhibitors MANNKIND CORPORATION (US) 2015-05-26 — — US disclosed
US-20150141424-A1 IRE-1alpha INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2015-05-21 — — US disclosed
US-20150141424-A1 IRE-1alpha INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2015-05-21 — — US disclosed
US-20130116247-A1 IRE-1alpha INHIBITORS MANNKIND CORPORATION (US) 2013-05-09 — — US disclosed
US-20130116247-A1 IRE-1alpha INHIBITORS MANNKIND CORPORATION (US) 2013-05-09 — — US disclosed
CN-103079558-A IRE-1 alpha inhibitors MANNKIND CORP 2013-05-01 — — CN 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 (6 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-20150141424-A1 IRE-1alpha INHIBITORS ERN1, XBP1, ERN2 ADCY6 3596/4885ADCY3 3762/4885ADCY9 3554/4885
US-20170326104-A1 IRE-1ALPHA INHIBITORS ERN1, XBP1, ERN2 ADCY6 3596/4885ADCY3 3762/4885ADCY9 3554/4885
US-11337956-B2 IRE-1α inhibitors XBP1, ERN1, ERN2 ADCY6 3712/4885ADCY3 3914/4885ADCY9 3636/4885
US-20190314330-A1 IRE-1ALPHA INHIBITORS ERN1, XBP1, ERN2 ADCY6 3596/4885ADCY3 3762/4885ADCY9 3554/4885
US-10357475-B2 IRE-1α inhibitors XBP1, ERN1, ERN2 ADCY6 3712/4885ADCY3 3914/4885ADCY9 3636/4885
US-20130116247-A1 IRE-1alpha INHIBITORS ERN1, XBP1, ERN2 ADCY6 3489/4885ADCY3 3721/4885ADCY9 3457/4885

“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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