SCHEMBL7007674

SCHEMBL7007674

COc1cccc2c1CCN(C(C)=O)C2

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABHD6 Q9BV23 2/20 0.64
NOTUM Q6P988 3/20 0.58
AKR1C3 P42330 1/20 0.51
ACACB O00763 2/20 0.50
CPT2 P23786 1/20 0.50
CPT1A P50416 1/20 0.50
MTNR1A P48039 2/20 0.48
MTNR1B P49286 2/20 0.48
HSP90B1 P14625 1/20 0.47
TRAP1 Q12931 1/20 0.47
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
DRD2 P14416 1/20 0.44
DRD1 P21728 1/20 0.44
DRD5 P21918 1/20 0.44
DRD3 P35462 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL14067047 0.88 NOTUM (0.58) ABHD6NOTUMMTNR1AMTNR1BHSP90B1
SCHEMBL17197353 0.87 NOTUM (0.56) ABHD6NOTUMAKR1C3ACACBCPT2
SCHEMBL14067231 0.86 ABHD6 (0.61) ABHD6NOTUMAKR1C3ACACBCPT2
SCHEMBL22035541 0.85 ABHD6 (0.63) ABHD6NOTUMAKR1C3ACACBCPT2
SCHEMBL23817958 0.83 ABHD6 (0.59) ABHD6
SCHEMBL11746051 0.81 NOTUM (0.49) ABHD6NOTUMDRD2DRD1
SCHEMBL6712189 0.80 NOTUM (0.63) ABHD6NOTUMAKR1C3DRD2DRD1
SCHEMBL10210758 0.80 NOTUM (0.63) ABHD6NOTUMTRAP1NPC1RAB9A
SCHEMBL4008584 0.79 NOTUM (0.61) ABHD6NOTUMAKR1C3ACACBTRAP1
SCHEMBL10356953 0.79 NOTUM (0.61) ABHD6NOTUMAKR1C3NPC1RAB9A

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10300058-B2 Tyrosine kinase inhibitor and uses thereof Xuanzhu Pharma Co., Ltd. (CN) 2019-05-28 US disclosed
US-10300058-B2 Tyrosine kinase inhibitor and uses thereof Xuanzhu Pharma Co., Ltd. (CN) 2019-05-28 US disclosed
US-20170112833-A1 Tyrosine Kinase Inhibitor And Uses Thereof Xuanzhu Pharma Co., Ltd. (CN) 2017-04-27 US disclosed
US-20170112833-A1 Tyrosine Kinase Inhibitor And Uses Thereof Xuanzhu Pharma Co., Ltd. (CN) 2017-04-27 US disclosed
US-20170112833-A1 Tyrosine Kinase Inhibitor And Uses Thereof Xuanzhu Pharma Co., Ltd. (CN) 2017-04-27 US disclosed
WO-2015158310-A1 TYROSINE KINASE INHIBITOR AND USES THEREOF 山东轩竹医药科技有限公司 2015-10-22 WO disclosed
US-6653302-B2 Benign prostatic hyperplasia PFIZER INC. 2003-11-25 US disclosed
US-20030130259-A1 Quinoline and quinazoline compounds useful in therapy FOX DAVID NATHAN ABRAHAM (GB) 2003-07-10 US disclosed
EP-0968208-B1 QUINOLINE AND QUINAZOLINE COMPOUNDS USEFUL IN THERAPY, PARTICULARLY IN THE TREATMENT OF BENIGN PROSTATIC HYPERPLASIA PFIZER LTD (GB) 2003-06-04 EP disclosed
US-6521629-B2 2-amine substituted quinoline or quinozoline derivatives useful for treating benign prostatic hyperplasia PFIZER INC. 2003-02-18 US disclosed
US-20020040028-A1 Quinoline and quinazoline compounds useful in therapy FOX DAVID NATHAN ABRAHAM (GB) 2002-04-04 US disclosed
US-6365599-B1 FOR THERAPY OF BENIGN PROSTATIC HYPERPLASIA PFIZER, INC. 2002-04-02 US disclosed
US-6169093-B1 FOR TREATMENT OF BENIGN PROSTATIC HYPERPLASIA PFIZER INC. 2001-01-02 US disclosed
EP-0968208-A1 QUINOLINE AND QUINAZOLINE COMPOUNDS USEFUL IN THERAPY, PARTICULARLY IN THE TREATMENT OF BENIGN PROSTATIC HYPERPLASIA Pfizer Limited (GB) 2000-01-05 EP disclosed
WO-1998030560-A1 QUINOLINE AND QUINAZOLINE COMPOUNDS USEFUL IN THERAPY, PARTICULARLY IN THE TREATMENT OF BEGNIN PROSTATIC HYPERPLASIA PFIZER LIMITED (GB) 1998-07-16 WO disclosed
WO-1995007260-A1 TETRAHYDROISOQUINOLINES AS ALPHA-2 ANTAGONISTS AND BIOGENIC AMINE UPTAKE INHIBITORS ABBOTT LABORATORIES (US) 1995-03-16 WO disclosed
US-5389638-A Nervous system disorders ABBOTT LABORATORIES (US) 1995-02-14 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-20170112833-A1 Tyrosine Kinase Inhibitor And Uses Thereof EGFR, ERBB2, ABL1 ABHD6 2406/4885NOTUM 652/4885AKR1C3 3643/4885
US-20030130259-A1 Quinoline and quinazoline compounds useful in therapy NQO2, RFT1, LPXN ABHD6 4206/4885NOTUM 3451/4885AKR1C3 395/4885
US-10300058-B2 Tyrosine kinase inhibitor and uses thereof EGFR, ERBB2, ABL1 ABHD6 2406/4885NOTUM 652/4885AKR1C3 3643/4885
US-20020040028-A1 Quinoline and quinazoline compounds useful in therapy BPHL, LPXN, NQO2 ABHD6 4203/4885NOTUM 2965/4885AKR1C3 382/4885

“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.