SCHEMBL1163022

SCHEMBL1163022

O=C(N[C@@H]1CCCNC1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.59
OPRK1 P41145 1/20 0.59
CHEK1 O14757 5/20 0.54
CDK2AP1 O14519 1/20 0.54
HDAC4 P56524 1/20 0.54
PBK Q96KB5 2/20 0.52
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
GRM5 P41594 1/20 0.51
CHRNA1 P02708 1/20 0.51
CHRNB2 P17787 1/20 0.51
CHRNB4 P30926 1/20 0.51
CHRNA4 P43681 1/20 0.51
PARP1 P09874 1/20 0.50

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
SCHEMBL1163023 1.00 MAPK1 (0.59) MAPK1OPRK1CHEK1CDK2AP1HDAC4
SCHEMBL28280152 1.00 MAPK1 (0.59) MAPK1OPRK1CHEK1CDK2AP1HDAC4
SCHEMBL7865237 0.95 CHEK1 (0.55) MAPK1OPRK1CHEK1CDK2AP1HDAC4
Trifluoroacetic Acid SCHEMBL4259150 0.92 HDAC4 (0.56) MAPK1OPRK1CHEK1CDK2AP1HDAC4
Cadaverine Tartrate SCHEMBL28008723 0.92 MAPK1 (0.52) MAPK1OPRK1CHEK1CDK2AP1HDAC4
SCHEMBL8491815 0.90 MEN1 (0.54) MAPK1OPRK1HDAC4NPC1RAB9A
SCHEMBL1250846 0.90 MEN1 (0.54) MAPK1OPRK1HDAC4NPC1RAB9A
SCHEMBL5230051 0.90 MEN1 (0.54) MAPK1OPRK1HDAC4NPC1RAB9A
Hydrochloric Acid SCHEMBL994487 0.89 MEN1 (0.53) MAPK1OPRK1HDAC4NPC1RAB9A
Hydrochloric Acid SCHEMBL28156652 0.89 MEN1 (0.53) MAPK1OPRK1HDAC4NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112533904-B Melanocortin subtype-2 receptor (MC 2R) antagonists and uses thereof 克林提克斯医药股份有限公司 2024-10-29 CN claimed
EP-4720044-A1 AROMATIC AMIDES AND CONJUGATES THEREOF AS BINDERS TO TEAD Beactica Therapeutics AB (SE) 2026-04-08 EP disclosed
WO-2024240840-A1 AROMATIC AMIDES AND CONJUGATES THEREOF AS BINDERS TO TEAD BEACTICA THERAPEUTICS AB (SE) 2024-11-28 WO disclosed
WO-2024226875-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR ATTENUATION OF MAMMALIAN TRANSLATION OF C-MYC OR N-MYC PROTEINS OF THE MYC PROTO-ONCOGENE FAMILY OF BHLH TRANSCRIPTION FACTORS INITIAL THERAPEUTICS, INC. (US) 2024-10-31 WO disclosed
CN-118239959-A Cyclopropane TLR7 and 8 inhibitor and preparation method and application thereof 上海深势唯思科技有限责任公司 2024-06-25 CN disclosed
CN-109476633-A The inhibitor of tryptophan 2,3- dioxygenase 荷兰转化研究中心有限责任公司 2019-03-15 CN disclosed
CN-104387315-A Compound I and (R)-3-aminopiperidine hydrochloride II, preparation method and application in Linagliptin synthesis 2Y CHEM LTD 2015-03-04 CN disclosed
EP-2125819-B1 Fused heterocyclic compounds useful for the treatment of proliferative, allergic, autoimmune or inflammatory diseases BRISTOL MYERS SQUIBB CO (US) 2014-10-22 EP disclosed
EP-2789615-A1 Azaindazoles as Btk kinase modulators and use thereof Bristol-Myers Squibb Company (US) 2014-10-15 EP disclosed
US-8846673-B2 Azaindazoles as kinase inhibitors and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-30 US disclosed
CN-103373953-A Preparation method for 3-aminopiperidine and optical isomer thereof SHANGHAI SUN SAIL PHARMACEUTICAL SCIENCE & TECHNOLOGY CO LTD 2013-10-30 CN disclosed
EP-2464647-A1 AZAINDAZOLES AS BTK KINASE MODULATORS AND USE THEREOF Bristol-Myers Squibb Company (US) 2012-06-20 EP disclosed
US-8188272-B2 Fused heterocyclic compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2012-05-29 US disclosed
US-20120129852-A1 AZAINDAZOLES AS KINASE INHIBITORS AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2012-05-24 US disclosed
US-20120088791-A1 AMIDOBIPIPERIDINECARBOXYLATE M1 ALLOSTERIC AGONISTS, ANALOGS AND DERIVATIVES THEREOF, AND METHODS OF MAKING AND USING SAME VANDERBILT UNIVERSITY (US) 2012-04-12 US disclosed
WO-2011019780-A1 AZAINDAZOLES AS BTK KINASE MODULATORS AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-17 WO disclosed
US-20100105676-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2010-04-29 US disclosed
EP-2125819-A2 FUSED HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLIFERATIVE, ALLERGIC, AUTOIMMUNE OR INFLAMMATORY DISEASES Bristol-Myers Squibb Company (US) 2009-12-02 EP disclosed
WO-2008116064-A2 FUSED HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLIFERATIVE, ALLERGIC, AUTOIMMUNE OR INFLAMMATORY DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2008-09-25 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 (3 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-20120088791-A1 AMIDOBIPIPERIDINECARBOXYLATE M1 ALLOSTERIC AGONISTS, ANALOGS AND DERIVATIVES THEREOF, AND METHODS OF MAKING AND USING SAME CHRM1, CHRM5, CHRM2 MAPK1 1034/4885OPRK1 290/4885CHEK1 2392/4885
US-20100105676-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BTK, LYN, ABL1 MAPK1 205/4885OPRK1 1343/4885CHEK1 151/4885
US-20120129852-A1 AZAINDAZOLES AS KINASE INHIBITORS AND USE THEREOF BTK, ABL1, JAK1 MAPK1 127/4885OPRK1 2521/4885CHEK1 193/4885

“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.