SCHEMBL9187652

SCHEMBL9187652

CC(=O)Nc1c(C)cccc1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
HPGD P15428 1/20 0.50
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
KMT2A Q03164 2/20 0.43
CYP1A2 P05177 2/20 0.43
MEN1 O00255 1/20 0.43
CYP2C9 P11712 1/20 0.43
NFKB1 P19838 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL21807836 0.88 RXFP1 (0.48) ALDH1A1HPGDL3MBTL1CYP1A2CYP2C9
SCHEMBL3832158 0.86 POLB (0.47) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL436967 0.86 ALDH1A1 (0.59) ALDH1A1HPGDHDAC3HDAC4HDAC1
SCHEMBL9168588 0.84 ALDH1A1 (0.57) ALDH1A1HPGDHDAC3HDAC4HDAC1
SCHEMBL22158291 0.82 RXFP1 (0.44) ALDH1A1HPGDKMT2ACYP1A2MEN1
SCHEMBL9188362 0.79 ATM (0.44) ALDH1A1CYP1A2RXFP1POLBEGFR
SCHEMBL30954548 0.79 HDAC1 (0.48) ALDH1A1HDAC1KMT2ACYP1A2RXFP1
SCHEMBL16240385 0.79 HDAC1 (0.48) ALDH1A1HDAC1KMT2ACYP1A2RXFP1
SCHEMBL4628755 0.79 HDAC1 (0.48) ALDH1A1HPGDHDAC3HDAC1HDAC2
SCHEMBL23885415 0.79 PDK1 (0.49) ALDH1A1HDAC3HDAC4HDAC1HDAC7

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-11760728-B2 Tead inhibitors and uses thereof Ikena Oncology, Inc. (US) 2023-09-19 US disclosed
US-11760728-B2 Tead inhibitors and uses thereof Ikena Oncology, Inc. (US) 2023-09-19 US disclosed
CN-107108592-B Morpholine and 1, 4-oxazepan amides as somatostatin receptor subtype 4(SSTR4) agonists 勃林格殷格翰国际有限公司 2021-01-29 CN disclosed
WO-2020243415-A2 TEAD INHIBITORS AND USES THEREOF Ikena Oncology, Inc. (US) 2020-12-03 WO disclosed
EP-3218372-B1 MORPHOLINE AND 1,4-OXAZEPANE AMIDES AS SOMATOSTATIN RECEPTOR SUBTYPE 4 (SSTR4) AGONISTS BOEHRINGER INGELHEIM INT (DE) 2020-05-20 EP disclosed
US-10577336-B2 Morpholine and 1,4-oxazepane amides as somatostatin receptor subtype 4 (SSTR4) agonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-03-03 US disclosed
US-20180339971-A1 MORPHOLINE AND 1,4-OXAZEPANE AMIDES AS SOMATOSTATIN RECEPTOR SUBTYPE 4 (SSTR4) AGONISTS BOEHRINGER INGELHEIM INT (DE) 2018-11-29 US disclosed
US-10071974-B2 Morpholine and 1,4-oxazepane amides as somatostatin receptor subtype 4 (SSTR4) agonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-09-11 US disclosed
US-20170320838-A1 MORPHOLINE AND 1,4-OXAZEPANE AMIDES AS SOMATOSTATIN RECEPTOR SUBTYPE 4 (SSTR4) AGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-11-09 US disclosed
EP-3218372-A1 MORPHOLINE AND 1,4-OXAZEPANE AMIDES AS SOMATOSTATIN RECEPTOR SUBTYPE 4 (SSTR4) AGONISTS Boehringer Ingelheim International GmbH (DE) 2017-09-20 EP disclosed
US-9371282-B2 Somatostatin receptor subtype 4 (SSTR4) agonists CENTREXION THERAPEUTICS CORPORATION (US) 2016-06-21 US disclosed
WO-2016075240-A1 MORPHOLINE AND 1,4-OXAZEPANE AMIDES AS SOMATOSTATIN RECEPTOR SUBTYPE 4 (SSTR4) AGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-19 WO disclosed
US-20140343065-A1 New Somatostatin receptor subtype 4 (SSTR4) agonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-20 US disclosed
EP-0507417-B1 Process for the selective reduction of the 4-halogen in 2,4-dihaloanilines DOWELANCO (US) 1995-11-08 EP disclosed
EP-0507417-A2 Process for the selective reduction of the 4-halogen in 2,4-dihaloanilines DOWELANCO (US) 1992-10-07 EP disclosed
US-5089653-A Having amine-protecting groups, such as diacetanilide or succinimide; palladium catalyst; hydrolyzing to deprotect DOW ELANCO (US) 1992-02-18 US disclosed
US-4102924-A REACTING ACYLAMINO-ARYLS WITH HALO-ARYLS BAYER AKTIENGESELLSCHAFT (DE) 1978-07-25 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 (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-10071974-B2 Morpholine and 1,4-oxazepane amides as somatostatin receptor subtype 4 (SSTR4) agonists SSTR4, SSTR1, SSTR3 ALDH1A1 2546/4885HPGD 2308/4885HDAC3 1949/4885
US-20180339971-A1 MORPHOLINE AND 1,4-OXAZEPANE AMIDES AS SOMATOSTATIN RECEPTOR SUBTYPE 4 (SSTR4) AGONISTS SSTR4, SSTR1, SSTR3 ALDH1A1 2546/4885HPGD 2308/4885HDAC3 1949/4885
US-20170320838-A1 MORPHOLINE AND 1,4-OXAZEPANE AMIDES AS SOMATOSTATIN RECEPTOR SUBTYPE 4 (SSTR4) AGONISTS SSTR4, SSTR1, SSTR3 ALDH1A1 2546/4885HPGD 2308/4885HDAC3 1949/4885
US-10577336-B2 Morpholine and 1,4-oxazepane amides as somatostatin receptor subtype 4 (SSTR4) agonists SSTR4, SSTR1, SSTR3 ALDH1A1 2546/4885HPGD 2308/4885HDAC3 1949/4885
US-11760728-B2 Tead inhibitors and uses thereof TEAD2, TEAD3, TEAD4 ALDH1A1 1195/4885HPGD 223/4885HDAC3 354/4885
US-20140343065-A1 New Somatostatin receptor subtype 4 (SSTR4) agonists SSTR4, SSTR3, SSTR1 ALDH1A1 2901/4885HPGD 2352/4885HDAC3 660/4885

“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.