SCHEMBL2106218

SCHEMBL2106218

CC(C)NC1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.41
KCNH2 Q12809 1/20 0.38
POLB P06746 1/20 0.37
GNAI3 P08754 4/20 0.36
GNAO1 P09471 4/20 0.36
GNAI1 P63096 4/20 0.36
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SOS1 Q07889 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
MDM2 Q00987 1/20 0.32
KDM1A O60341 2/20 0.31
MAOA P21397 1/20 0.31
HTR4 Q13639 1/20 0.30
DRD2 P14416 1/20 0.30
DRD3 P35462 1/20 0.30

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
Hydrochloric Acid SCHEMBL6016942 0.97 GNAI3 (0.39) EPHX1KCNH2POLBGNAI3GNAO1
Hydrochloric Acid SCHEMBL3413064 0.97 GNAI3 (0.39) EPHX1KCNH2POLBGNAI3GNAO1
SCHEMBL21361032 0.93 EPHX1 (0.41) EPHX1KCNH2POLBGNAI3GNAO1
SCHEMBL13503179 0.93 EPHX1 (0.41) EPHX1KCNH2POLBGNAI3GNAO1
Bicarbonate SCHEMBL3920858 0.89 EPHX1 (0.48) EPHX1POLBGNAI3GNAO1GNAI1
SCHEMBL23365995 0.87 GAA (0.36) EPHX1GAAL3MBTL1MDM2
SCHEMBL3980551 0.85
SCHEMBL655594 0.85
SCHEMBL3632849 0.85
Hydrochloric Acid SCHEMBL26685207 0.83 KCNH2 (0.48) EPHX1KCNH2GNAI3GNAO1GNAI1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013088452-A2 QUINOLINE DERIVATIVES AS RENIN INHIBITORS SUN PHARMA ADVANCED RESEARCH COMPANY LTD. (IN) 2013-06-20 WO claimed
US-20240018150-A1 SMALL MOLECULAR INHIBITOR AGAINST BTK AND/OR BTK C481S AND USE THEREOF ARROMAX PHARMATECH CO., LTD. (CN) 2024-01-18 US disclosed
US-20230286945-A1 ISOQUINOLIN-3-YL CARBOXAMIDES AND PREPARATION AND USE THEREOF TENARX, INC. 2023-09-14 US disclosed
US-11731986-B2 Inhibitors of low molecular weight protein tyrosine phosphatase (LMPTP) and uses thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2023-08-22 US disclosed
US-11731986-B2 Inhibitors of low molecular weight protein tyrosine phosphatase (LMPTP) and uses thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2023-08-22 US disclosed
WO-2023141300-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2023-07-27 WO disclosed
US-20230219927-A1 AKT3 MODULATORS Georgiamune Inc. 2023-07-13 US disclosed
US-20230183226-A1 AKT3 MODULATORS Georgiamune Inc. 2023-06-15 US disclosed
US-11667624-B2 Indole compounds as androgen receptor modulators NIDO BIOSCIENCES, INC. (US) 2023-06-06 US disclosed
US-20230140430-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2023-05-04 US disclosed
US-20050043302-A1 New indole derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-02-24 US disclosed
EP-1451185-A1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS Aventis Pharma Deutschland GmbH (DE) 2004-09-01 EP disclosed
US-20030199689-A1 New indole derivatives as factor Xa inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-10-23 US disclosed
WO-2003044014-A1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-05-30 WO disclosed
WO-2003044014-A1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-05-30 WO disclosed
EP-1314733-A1 Indole-2-carboxamides as factor Xa inhibitors Aventis Pharma Deutschland GmbH (DE) 2003-05-28 EP disclosed
EP-0287696-B1 ISOQUINOLINE DERIVATIVES Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1991-01-02 EP disclosed
EP-0343307-A1 4-Piperidinealkanamine derivatives FABRICA ESPANOLA DE PRODUCTOS QUIMICOS Y FARMACEUTICOS, S.A. (ES) 1989-11-29 EP disclosed
US-4798897-A (AMINOALKYL)AMINOSULFONYL-SUBSTITUTED CARDIOVASCULAR AND RESPIRATORY SYSTEM DISORDERS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1989-01-17 US disclosed
EP-0287696-A1 Isoquinoline derivatives Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1988-10-26 EP 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 (9 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-20230183226-A1 AKT3 MODULATORS AKT3, AKT2, MTOR EPHX1 4284/4885KCNH2 4816/4885POLB 2609/4885
US-11731986-B2 Inhibitors of low molecular weight protein tyrosine phosphatase (LMPTP) and uses thereof ACP1, PTPRCAP, PTPRO EPHX1 3316/4885KCNH2 4635/4885POLB 3457/4885
US-11667624-B2 Indole compounds as androgen receptor modulators AR, FSHR, ADRB3 EPHX1 4776/4885KCNH2 3567/4885POLB 2183/4885
US-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA EPHX1 4029/4885KCNH2 4629/4885POLB 2233/4885
US-20230140430-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS TLR7, TLR1, TLR9 EPHX1 2314/4885KCNH2 3692/4885POLB 1057/4885
US-20230286945-A1 ISOQUINOLIN-3-YL CARBOXAMIDES AND PREPARATION AND USE THEREOF WNT1, WNT3, WNT3A EPHX1 2047/4885KCNH2 4179/4885POLB 2224/4885
US-20240018150-A1 SMALL MOLECULAR INHIBITOR AGAINST BTK AND/OR BTK C481S AND USE THEREOF BTK, SYK, LCK EPHX1 997/4885KCNH2 1858/4885POLB 2758/4885
US-20030199689-A1 New indole derivatives as factor Xa inhibitors F5, F12, F2 EPHX1 2015/4885KCNH2 618/4885POLB 2965/4885
US-20050043302-A1 New indole derivatives as factor Xa inhibitors F12, F5, F2 EPHX1 2275/4885KCNH2 414/4885POLB 2247/4885

“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.