SCHEMBL173027

SCHEMBL173027

Cc1ccccc1N1CCN(C)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.62
ADRA2C P18825 1/20 0.62
ALDH1A1 P00352 1/20 0.61
HPGD P15428 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
DRD2 P14416 2/20 0.58
DRD3 P35462 2/20 0.58
LMNA P02545 2/20 0.54
MCOLN3 Q8TDD5 1/20 0.54
HTR1A P08908 3/20 0.53
HTR3A P46098 2/20 0.53
AKR1C3 P42330 1/20 0.51
SLC18A3 Q16572 1/20 0.51
KMT2A Q03164 2/20 0.50
ADRA1D P25100 1/20 0.50
ADRA1A P35348 1/20 0.50
ADRA1B P35368 1/20 0.50
NCF1 P14598 1/20 0.50
EGFR P00533 1/20 0.50
MAPT P10636 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
SCHEMBL30656303 1.00 ADRB1 (0.62) ADRB1ADRA2CALDH1A1HPGDSMN1; SMN2
Ammonia Solution, Strong SCHEMBL28721086 0.98 ADRB1 (0.60) ADRB1ADRA2CALDH1A1HPGDSMN1; SMN2
SCHEMBL15061993 0.92 NCF1 (0.61) ADRB1ADRA2CALDH1A1HPGDSMN1; SMN2
SCHEMBL4291189 0.91 ADRB1 (0.72) ADRB1ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL7583950 0.89 ADRB1 (0.51) ADRB1ADRA2CALDH1A1HPGDSMN1; SMN2
SCHEMBL13243993 0.83 ADRB1 (0.65) ADRB1ADRA2CALDH1A1HPGDSMN1; SMN2
SCHEMBL286304 0.82 SLC18A3 (0.56) ADRB1ADRA2CALDH1A1HPGDSMN1; SMN2
SCHEMBL10118836 0.82 ADRB1 (0.61) ADRB1ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL329301 0.82 ADRB1 (0.67) ADRB1ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL27961590 0.82 ADRB1 (0.67) ADRB1ALDH1A1HPGDSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240016775-A1 ANTI-CORONAVIRUS APPLICATION OF POLY ADP RIBOSE POLYMERASE INHIBITOR FUKANG (SHANGHAI) HEALTH TECHNOLOGY CO., LTD (CN) 2024-01-18 US disclosed
US-20240016775-A1 ANTI-CORONAVIRUS APPLICATION OF POLY ADP RIBOSE POLYMERASE INHIBITOR FUKANG (SHANGHAI) HEALTH TECHNOLOGY CO., LTD (CN) 2024-01-18 US disclosed
WO-2023244815-A1 MOLECULAR GLUE DEGRADERS AND METHODS OF USING THE SAME MONTE ROSA THERAPEUTICS, INC. (US) 2023-12-21 WO disclosed
US-20230203003-A1 Notch Inhibitors and Uses Thereof STEMSYNERGY THERAPEUTICS, INC. 2023-06-29 US disclosed
US-20230203003-A1 Notch Inhibitors and Uses Thereof STEMSYNERGY THERAPEUTICS, INC. 2023-06-29 US disclosed
EP-3498701-B1 PRMT5 INHIBITORS AND USES THEREOF EPIZYME INC (US) 2023-02-22 EP disclosed
US-11578055-B2 Triazacyclododecansulfonamide (“TCD”)-based protein secretion inhibitors KEZAR LIFE SCIENCES (US) 2023-02-14 US disclosed
US-20230015617-A1 PHTHALAZINONE DERIVATIVES KUDOS PHARMACEUTICALS LIMITED (GB) 2023-01-19 US disclosed
US-20220411383-A1 AMINOPYRAZINE DERIVATIVES AS PI3K-y INHIBITORS INCYTE CORPORATION 2022-12-29 US disclosed
US-20220402891-A1 TRIAZACYCLODODECANSULFONAMIDE (TCD)-BASED PROTEIN SECRETION INHIBITORS ENODIA THERAPEUTICS SAS (FR) 2022-12-22 US disclosed
US-20040224993-A1 Diphenylurea compounds LAVIELLE GILBERT (FR) 2004-11-11 US disclosed
US-6784183-B2 ANTISEROTONINE AGENTS LES LABORATOIRES SERVIER (FR) 2004-08-31 US disclosed
EP-1170288-B1 Diphenylureum derivatives and their use as alpha2/5-HT2c antagonists SERVIER LAB (FR) 2004-08-11 EP disclosed
WO-2004013141-A1 CONDENSED PYRIDINES AND PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2004-02-12 WO disclosed
US-20020025965-A1 Antiserotonine agents ADIR ET COMPAGNIE (FR) 2002-02-28 US disclosed
EP-1170288-A2 Diphenylureum derivatives and their use as alpha2/5-HT2c antagonists LES LABORATOIRES SERVIER (FR) 2002-01-09 EP disclosed
US-4775757-A CARDIOTONIC AND RENAL VASODILATING AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1988-10-04 US disclosed
US-4078066-A HYPOTENSIVE AGENTS, SURFACTANTS, BACTERICIDES AND WATER SOFTENERS E. R. SQUIBB & SONS, INC. (US) 1978-03-07 US disclosed
US-4033971-A HYPOTENSIVES, SURFACTANTS, BACTERICIDES, WATER SOFTENERS E. R. SQUIBB & SONS, INC. (US) 1977-07-05 US disclosed
US-3936465-A SURFACTANT, WATER SOFTENER, BACTERICIDE, HYPOTENSIVE E. R. SQUIBB & SONS, INC. (US) 1976-02-03 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 (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-20230203003-A1 Notch Inhibitors and Uses Thereof NOTCH1, NOTCH2, NOTCH4 ADRB1 4782/4885ADRA2C 4882/4885ALDH1A1 2288/4885
US-11578055-B2 Triazacyclododecansulfonamide (“TCD”)-based protein secretion inhibitors SEC61B, SEC61A1, SEC61G ADRB1 4117/4885ADRA2C 4666/4885ALDH1A1 4848/4885
US-20020025965-A1 Antiserotonine agents HTR2C, HTR3C, HTR3A ADRB1 68/4885ADRA2C 25/4885ALDH1A1 3386/4885
US-20240016775-A1 ANTI-CORONAVIRUS APPLICATION OF POLY ADP RIBOSE POLYMERASE INHIBITOR PARP3, PARP1, PARP4 ADRB1 4005/4885ADRA2C 4715/4885ALDH1A1 1311/4885
US-20230015617-A1 PHTHALAZINONE DERIVATIVES NR0B1, NR0B2, NR2E1 ADRB1 330/4885ADRA2C 1112/4885ALDH1A1 1599/4885
US-20220411383-A1 AMINOPYRAZINE DERIVATIVES AS PI3K-y INHIBITORS PIK3R5, PIK3CD, PIK3CG ADRB1 1405/4885ADRA2C 2385/4885ALDH1A1 3446/4885
US-20220402891-A1 TRIAZACYCLODODECANSULFONAMIDE (TCD)-BASED PROTEIN SECRETION INHIBITORS SEC61B, SEC61A1, SEC61G ADRB1 4127/4885ADRA2C 4625/4885ALDH1A1 4834/4885
US-20040224993-A1 Diphenylurea compounds HTR2C, HTR2A, HTR1A ADRB1 63/4885ADRA2C 19/4885ALDH1A1 387/4885

“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.