SCHEMBL578538

SCHEMBL578538

CC(=O)OC1CCN(c2ccc(Br)cn2)CC1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 17/20 0.50
AKR1C3 P42330 1/20 0.49
ACACB O00763 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
SCHEMBL15224400 0.86 HRH3 (0.51) HRH3AKR1C3
SCHEMBL15224386 0.86 HRH3 (0.50) HRH3AKR1C3ACACB
SCHEMBL5247683 0.84 HRH3 (0.50) HRH3
SCHEMBL27920306 0.83 HRH3 (0.46) HRH3AKR1C3
SCHEMBL21588309 0.81 MAP4K4 (0.48) HRH3AKR1C3ACACB
SCHEMBL16795331 0.80 HRH3 (0.49) HRH3AKR1C3
SCHEMBL5249138 0.80 MAPT (0.67) HRH3
SCHEMBL15224314 0.79 HRH3 (0.52) HRH3AKR1C3ACACB
SCHEMBL9537580 0.79 AKR1C3 (0.46) HRH3AKR1C3ACACB
SCHEMBL578125 0.79 ALDH1A1 (0.46) HRH3AKR1C3ACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE47731-E1 Kinase inhibitors and method of treating cancer with same UNIV HEALTH NETWORK (CA) 2019-11-19 US disclosed
US-10358436-B2 Kinase inhibitors and method of treating cancer UNIVERSITY HEALTH NETWORK (CA) 2019-07-23 US disclosed
US-20180282306-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER UNIVERSITY HEALTH NETWORK (CA) 2018-10-04 US disclosed
US-9907800-B2 Kinase inhibitors and method of treating cancer UNIVERSITY HEALTH NETWORK (CA) 2018-03-06 US disclosed
US-20160045511-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER UNIVERSITY HEALTH NETWORK (CA) 2016-02-18 US disclosed
US-9139563-B2 Kinase inhibitors and method of treating cancer UNIVERSITY HEALTH NETWORK (CA) 2015-09-22 US disclosed
US-8999968-B2 Kinase inhibitors and method of treating cancer with same UNIVERSITY HEALTH NETWORK (CA) 2015-04-07 US disclosed
EP-2417127-B1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIV HEALTH NETWORK (CA) 2014-02-26 EP disclosed
US-20140045822-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2014-02-13 US disclosed
US-20140045838-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER UNIV HEALTH NETWORK (CA) 2014-02-13 US disclosed
US-8481533-B2 Kinase inhibitors and method of treating cancer UNIVERSITY HEALTH NETWORK (CA) 2013-07-09 US disclosed
US-8481525-B2 Kinase inhibitors and method of treating cancer with same UNIVERSITY OF HEALTH NETWORK (CA) 2013-07-09 US disclosed
US-20120264800-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER UNIVERSITY HEALTH NETWORKS (CA) 2012-10-18 US disclosed
US-8263596-B2 Kinase inhibitors and method of treating cancer UNIVERSITY HEALTH NETWORK (CA) 2012-09-11 US disclosed
US-20120149686-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORKS (CA) 2012-06-14 US disclosed
EP-2417127-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME University Health Network (CA) 2012-02-15 EP disclosed
US-20110263598-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER UNIVERSITY HEALTH NETWORKS (CA) 2011-10-27 US disclosed
WO-2010115279-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2010-10-14 WO 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-20160045511-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER MAP3K6, MAP3K5, MAP3K19 HRH3 3367/4885AKR1C3 1894/4885ACACB 2343/4885
US-20120264800-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER MAP3K6, MAP3K5, MAP3K19 HRH3 3367/4885AKR1C3 1894/4885ACACB 2343/4885
US-20120149686-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME MAP3K5, MAP3K6, MAP3K1 HRH3 3894/4885AKR1C3 2667/4885ACACB 2157/4885
US-20140045838-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER MAP3K6, MAP3K5, MAP3K19 HRH3 3367/4885AKR1C3 1894/4885ACACB 2343/4885
US-20110263598-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER MAP3K6, MAP3K5, MAP3K19 HRH3 3367/4885AKR1C3 1894/4885ACACB 2343/4885
US-10358436-B2 Kinase inhibitors and method of treating cancer MAP3K6, MAP3K5, MAP3K19 HRH3 3367/4885AKR1C3 1894/4885ACACB 2343/4885
US-20140045822-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME MAP3K5, MAP3K6, MAP3K1 HRH3 3894/4885AKR1C3 2667/4885ACACB 2157/4885
US-20180282306-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER MAP3K6, MAP3K5, MAP3K19 HRH3 3367/4885AKR1C3 1894/4885ACACB 2343/4885

“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.