SCHEMBL7591113

SCHEMBL7591113

CC(C)(C)OC(=O)NCC1(N)CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.43
HCRTR2 O43614 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 2/20 0.38
CA12 O43570 3/20 0.37
CA2 P00918 3/20 0.37
CA1 P00915 2/20 0.37
CA9 Q16790 2/20 0.37
P2RX7 Q99572 2/20 0.36
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
DRD2 P14416 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CA14 Q9ULX7 1/20 0.34
APLNR P35414 1/20 0.34
CTSS P25774 1/20 0.34

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
SCHEMBL15285632 0.98 HCRTR2 (0.42) EPHX1HCRTR2TDP1MAOAMAOB
SCHEMBL29713169 0.95 HCRTR2 (0.42) EPHX1HCRTR2TDP1MAOAMAOB
SCHEMBL2943075 0.91 HCRTR2 (0.43) EPHX1HCRTR2TDP1MAOAMAOB
SCHEMBL16846897 0.84 HCRTR2 (0.45) EPHX1HCRTR2TDP1MAOAMAOB
SCHEMBL25785532 0.81 HCRTR2 (0.45) EPHX1HCRTR2TDP1MAOAMAOB
SCHEMBL89465 0.81 EPHX1 (0.44) EPHX1HCRTR2TDP1MAOAMAOB
SCHEMBL27995921 0.81 EPHX1 (0.41) EPHX1HCRTR2TDP1MAOAMAOB
SCHEMBL20980330 0.80 HCRTR2 (0.40) EPHX1HCRTR2TDP1MAOAMAOB
SCHEMBL24230207 0.80 EPHX1 (0.43) EPHX1HCRTR2TDP1MAOAMAOB
SCHEMBL14690510 0.80 HCRTR2 (0.44) EPHX1HCRTR2TDP1MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3478295-B1 SYNTHESIS OF N-(HETEROARYL)-PYRROLO[3,2-D]PYRIMIDIN-2-AMINES PHARMACOSMOS HOLDING AS (DK) 2026-05-27 EP disclosed
EP-4626423-A1 CDK INHIBITORS AND METHODS AND USE THEREOF Relay Therapeutics, Inc. (US) 2025-10-08 EP disclosed
WO-2024119122-A1 CDK INHIBITORS AND METHODS AND USE THEREOF RELAY THERAPEUTICS, INC. (US) 2024-06-06 WO disclosed
US-20230381189-A1 TRANSIENT PROTECTION OF NORMAL CELLS DURING CHEMOTHERAPY G1 THERAPEUTICS, INC. (US) 2023-11-30 US disclosed
US-20230381189-A1 TRANSIENT PROTECTION OF NORMAL CELLS DURING CHEMOTHERAPY G1 THERAPEUTICS, INC. (US) 2023-11-30 US disclosed
US-20230364098-A1 HSPC-SPARING TREATMENTS FOR RB-POSITIVE ABNORMAL CELLULAR PROLIFERATION G1 THERAPEUTICS, INC. (US) 2023-11-16 US disclosed
US-20230364098-A1 HSPC-SPARING TREATMENTS FOR RB-POSITIVE ABNORMAL CELLULAR PROLIFERATION G1 THERAPEUTICS, INC. (US) 2023-11-16 US disclosed
US-11717523-B2 Transient protection of normal cells during chemotherapy G1 THERAPEUTICS, INC. (US) 2023-08-08 US disclosed
US-11717523-B2 Transient protection of normal cells during chemotherapy G1 THERAPEUTICS, INC. (US) 2023-08-08 US disclosed
US-20230241059-A1 ANTI-NEOPLASTIC COMBINATIONS AND DOSING REGIMENS USING CDK4/6 INHIBITOR COMPOUNDS TO TREAT RB-POSITIVE TUMORS G1 THERAPEUTICS, INC. (US) 2023-08-03 US disclosed
US-20140274896-A1 Transient Protection of Hematopoietic Stem and Progenitor Cells Against Ionizing Radiation G1 THERAPEUTICS, INC. (US) 2014-09-18 US disclosed
US-20140275067-A1 Transient Protection of Normal Cells During Chemotherapy G1 THERAPEUTICS, INC. (US) 2014-09-18 US disclosed
US-20140274896-A1 Transient Protection of Hematopoietic Stem and Progenitor Cells Against Ionizing Radiation G1 THERAPEUTICS, INC. (US) 2014-09-18 US disclosed
US-20140275066-A1 Transient Protection of Normal Cells During Chemotherapy G1 THERAPEUTICS, INC. (US) 2014-09-18 US disclosed
US-20140275067-A1 Transient Protection of Normal Cells During Chemotherapy G1 THERAPEUTICS, INC. (US) 2014-09-18 US disclosed
US-20140275066-A1 Transient Protection of Normal Cells During Chemotherapy G1 THERAPEUTICS, INC. (US) 2014-09-18 US disclosed
US-20140271466-A1 HSPC-Sparing Treatments for RB-Positive Abnormal Cellular Proliferation G1 THERAPEUTICS, INC. (US) 2014-09-18 US disclosed
EP-0772590-B1 THROMBIN INHIBITORS MERCK & CO INC (US) 2002-10-09 EP disclosed
US-5714485-A Piperidine and hexahydropyridazine thrombin inhibitors MERCK & CO., INC. (US) 1998-02-03 US disclosed
US-5510369-A ANTICOAGULANTS MERCK & CO., INC. (US) 1996-04-23 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 (8 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-20230364098-A1 HSPC-SPARING TREATMENTS FOR RB-POSITIVE ABNORMAL CELLULAR PROLIFERATION RB1, CDK4, CDKN1A EPHX1 2749/4885HCRTR2 3029/4885TDP1 2065/4885
US-20140274896-A1 Transient Protection of Hematopoietic Stem and Progenitor Cells Against Ionizing Radiation MCL1, POT1, CTSA EPHX1 1547/4885HCRTR2 3735/4885TDP1 1694/4885
US-20140275067-A1 Transient Protection of Normal Cells During Chemotherapy CDK6, CCNC, MCL1 EPHX1 2792/4885HCRTR2 4106/4885TDP1 671/4885
US-20230381189-A1 TRANSIENT PROTECTION OF NORMAL CELLS DURING CHEMOTHERAPY CDK6, CCNC, MCL1 EPHX1 2792/4885HCRTR2 4106/4885TDP1 671/4885
US-20140271466-A1 HSPC-Sparing Treatments for RB-Positive Abnormal Cellular Proliferation RB1, CDK4, CDKN1A EPHX1 2749/4885HCRTR2 3029/4885TDP1 2065/4885
US-20140275066-A1 Transient Protection of Normal Cells During Chemotherapy CDK6, CCNC, MCL1 EPHX1 2792/4885HCRTR2 4106/4885TDP1 671/4885
US-20230241059-A1 ANTI-NEOPLASTIC COMBINATIONS AND DOSING REGIMENS USING CDK4/6 INHIBITOR COMPOUNDS TO TREAT RB-POSITIVE TUMORS CDK4, RB1, BTK EPHX1 3515/4885HCRTR2 3650/4885TDP1 563/4885
US-11717523-B2 Transient protection of normal cells during chemotherapy CDK6, CCNC, MCL1 EPHX1 2792/4885HCRTR2 4106/4885TDP1 671/4885

“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.