SCHEMBL1223213

SCHEMBL1223213

O=C1Nc2ccccc2C12CCCCC2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.62
OPRM1 P35372 1/20 0.60
OPRK1 P41145 1/20 0.60
OPRL1 P41146 1/20 0.60
PDE7A Q13946 1/20 0.54
PGR P06401 7/20 0.54
HTR1A P08908 3/20 0.51
HTR2A P28223 3/20 0.51
HTR7 P34969 3/20 0.51
HTR6 P50406 3/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
POLB P06746 1/20 0.50
GAA P10253 1/20 0.50
MAPK1 P28482 1/20 0.50
PDK2 Q15119 1/20 0.50
PDK4 Q16654 1/20 0.50
LMNA P02545 1/20 0.47
TNKS O95271 1/20 0.47
TNKS2 Q9H2K2 1/20 0.47

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
SCHEMBL29799132 1.00 BACE1 (0.62) BACE1OPRM1OPRK1OPRL1PDE7A
SCHEMBL21537944 1.00 BACE1 (0.62) BACE1OPRM1OPRK1OPRL1PDE7A
SCHEMBL29387092 0.98 BACE1 (0.64) BACE1OPRM1OPRK1OPRL1PDE7A
SCHEMBL1268479 0.98 BACE1 (0.64) BACE1OPRM1OPRK1OPRL1PDE7A
SCHEMBL2265580 0.94 BACE1 (0.64) BACE1OPRM1OPRK1OPRL1PDE7A
SCHEMBL29609089 0.94 BACE1 (0.64) BACE1OPRM1OPRK1OPRL1PDE7A
SCHEMBL29622026 0.90 BACE1 (0.68) BACE1OPRM1OPRK1OPRL1PDE7A
SCHEMBL318668 0.90 BACE1 (0.68) BACE1OPRM1OPRK1OPRL1PDE7A
SCHEMBL25316423 0.84 BACE1 (0.71) BACE1OPRM1OPRK1OPRL1PGR
SCHEMBL31701978 0.84 BACE1 (0.49) BACE1OPRM1OPRK1OPRL1PDE7A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240024346-A1 CD73 INHIBITORS AND PHARMACEUTICAL USES THEREOF RISEN SUZHOU PHARMA TECH CO LTD (CN) 2024-01-25 US disclosed
US-20240024346-A1 CD73 INHIBITORS AND PHARMACEUTICAL USES THEREOF RISEN SUZHOU PHARMA TECH CO LTD (CN) 2024-01-25 US disclosed
US-20230416262-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. 2023-12-28 US disclosed
US-20230295213-A1 CD73 INHIBITORS AND PHARMACEUTICAL USES THEREOF RISEN SUZHOU PHARMA TECH CO LTD (CN) 2023-09-21 US disclosed
US-20230295213-A1 CD73 INHIBITORS AND PHARMACEUTICAL USES THEREOF RISEN SUZHOU PHARMA TECH CO LTD (CN) 2023-09-21 US disclosed
US-20230295213-A1 CD73 INHIBITORS AND PHARMACEUTICAL USES THEREOF RISEN SUZHOU PHARMA TECH CO LTD (CN) 2023-09-21 US disclosed
EP-4192957-A2 TRPML MODULATORS Casma Therapeutics, Inc. (US) 2023-06-14 EP disclosed
US-20230144411-A1 SUBSTITUTED CYCLOHEXYL COMPOUNDS AS NOP INHIBITORS DART NEUROSCIENCE LLC 2023-05-11 US disclosed
WO-2022109741-A1 CD73 INHIBITORS AND PHARMACEUTICAL USES THEREOF Risen (Suzhou) Pharma Tech Co., Ltd. (CN) 2022-06-02 WO disclosed
WO-2022032073-A2 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2022-02-10 WO disclosed
US-20030050288-A1 Cyclic regimens utilizing indoline derivatives WYETH 2003-03-13 US disclosed
US-6521657-B2 Indole derivatives which are agonists of the progesterone receptor and useful for treatment of carcinoma and adenocarcinomas of uterine leiomyomata, endometriosis or polycystic ovary syndorme in a mammal WYETH 2003-02-18 US disclosed
US-20020169198-A1 Thio-oxindole derivatives WYETH (US) 2002-11-14 US disclosed
US-6462032-B1 Cyclic regimens utilizing indoline derivatives WYETH 2002-10-08 US disclosed
US-20020103248-A1 Thio-oxindole derivatives WYETH LLC 2002-08-01 US disclosed
US-20020086874-A1 Indoline derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 2002-07-04 US disclosed
US-6407101-B1 PROGESTERONE RECEPTOR ANTAGONISTS; CONTRACEPTIVES, HORMONE REPLACEMENT THERAPY; BREAST AND PROSTATE CANCER TREATMENT; MENOPAUSE AMERICAN HOME PRODUCTS CORPORATION 2002-06-18 US disclosed
US-20020068735-A1 Cyanopyrroles AMERICAN HOME PRODUCTS CORPORATION 2002-06-06 US disclosed
US-6391907-B1 ANTICANCER AGENTS; CONTRACEPTIVES AMERICAN HOME PRODUCTS CORPORATION 2002-05-21 US disclosed
US-6355648-B1 COMPOUNDS AS CONTRACEPTIVES AND PROGESTERONE ANTAGONIST AMERICAN HOME PRODUCTS CORPORATION 2002-03-12 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 (9 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-20230295213-A1 CD73 INHIBITORS AND PHARMACEUTICAL USES THEREOF ENTPD5, NT5E, ENTPD1 BACE1 692/4885OPRM1 3364/4885OPRK1 3307/4885
US-20020068735-A1 Cyanopyrroles PGR, NR3C2, GNRHR BACE1 4179/4885OPRM1 130/4885OPRK1 144/4885
US-20240024346-A1 CD73 INHIBITORS AND PHARMACEUTICAL USES THEREOF ENTPD5, NT5E, ENTPD1 BACE1 692/4885OPRM1 3364/4885OPRK1 3307/4885
US-20230144411-A1 SUBSTITUTED CYCLOHEXYL COMPOUNDS AS NOP INHIBITORS OPRL1, OPRK1, NOP56 BACE1 404/4885OPRM1 10/4885OPRK1 2/4885
US-20020103248-A1 Thio-oxindole derivatives PGR, OXTR, PGRMC1 BACE1 4806/4885OPRM1 47/4885OPRK1 26/4885
US-20020086874-A1 Indoline derivatives PGR, GNRHR, PRLHR BACE1 2905/4885OPRM1 214/4885OPRK1 70/4885
US-20020169198-A1 Thio-oxindole derivatives GPER1, PGR, ESR1 BACE1 4214/4885OPRM1 53/4885OPRK1 33/4885
US-20230416262-A1 TRPML MODULATORS TRPM2, TRPM4, TRPM5 BACE1 3020/4885OPRM1 121/4885OPRK1 197/4885
US-20030050288-A1 Cyclic regimens utilizing indoline derivatives PRLHR, GNRHR, BRCA1 BACE1 4001/4885OPRM1 456/4885OPRK1 150/4885

“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.