SCHEMBL746674

SCHEMBL746674

CCNCCc1ccccn1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.67
ALDH1A1 P00352 2/20 0.67
CYP2C19 P33261 1/20 0.67
HRH3 Q9Y5N1 1/20 0.67
LMNA P02545 2/20 0.65
TAAR1 Q96RJ0 1/20 0.65
ALOX15 P16050 1/20 0.65
TDP1 Q9NUW8 1/20 0.56
CYP2D6 P10635 1/20 0.55
HRH1 P35367 1/20 0.52
DPP7 Q9UHL4 1/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
PGK1 P00558 1/20 0.49
APP P05067 2/20 0.49
CHRM2 P08172 1/20 0.49

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
SCHEMBL10241557 0.89 HRH3 (0.58) CYP1A2ALDH1A1CYP2C19HRH3LMNA
SCHEMBL1921574 0.88 HRH3 (0.70) CYP1A2ALDH1A1CYP2C19HRH3LMNA
SCHEMBL6752172 0.87 CYP1A2 (0.65) CYP1A2ALDH1A1CYP2C19HRH3LMNA
SCHEMBL23053146 0.86 CYP1A2 (0.69) CYP1A2ALDH1A1CYP2C19HRH3LMNA
SCHEMBL5707525 0.84 CYP1A2 (0.61) CYP1A2ALDH1A1CYP2C19HRH3LMNA
SCHEMBL1392847 0.82 CHRM2 (0.70) CYP1A2ALDH1A1CYP2C19HRH3LMNA
SCHEMBL1677571 0.82 CHRM2 (0.60) CYP1A2ALDH1A1CYP2C19HRH3LMNA
SCHEMBL7004091 0.81 HRH3 (0.79) CYP1A2ALDH1A1CYP2C19HRH3LMNA
SCHEMBL29583126 0.81
SCHEMBL10527 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1180991-B1 GAMBOGIC ACID DERIVATIVES AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS CYTOVIA INC (US) 2010-05-19 EP claimed
EP-1694673-B1 THIAZOLE DERIVATES HOFFMANN LA ROCHE (CH) 2008-01-16 EP claimed
EP-1180991-A4 GAMBOGIC ACID, ANALOGS AND DERIVATIVES AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS CYTOVIA INC (US) 2005-10-12 EP claimed
US-20030078292-A1 Gambogic acid, analogs and derivatives as activators of caspases and inducers of apoptosis CYTOVIA, INC. 2003-04-24 US claimed
US-6462041-B1 ACTIVATORS OF CASPASE CASCADE; TREATING, PREVENTING OR AMELIORATING NEOPLASIA AND CANCER CYTOVIA, INC. 2002-10-08 US claimed
EP-1180991-A2 GAMBOGIC ACID, ANALOGS AND DERIVATIVES AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS Cytovia, Inc. (US) 2002-02-27 EP claimed
WO-2000044216-A1 GAMBOGIC ACID, ANALOGS AND DERIVATIVES AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS CYTOVIA, INC. (US) 2000-08-03 WO claimed
WO-2000044216-A2 GAMBOGIC ACID, ANALOGS AND DERIVATIVES AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS CYTOVIA INC (US) 2000-08-03 WO claimed
US-12454547-B2 Steroidal compositions and methods of treating lipogenic cancers Asteroid Therapeutics (US) 2025-10-28 US disclosed
WO-2024059041-A1 BENZO-FUSED N-HETEROCYCLES AND USES THEREOF KUMQUAT BIOSCIENCES, INC. (US) 2024-03-21 WO disclosed
US-20230340011-A1 STEROIDAL COMPOSITIONS AND METHODS OF TREATING LIPOGENIC CANCERS Asteroid Therapeutics 2023-10-26 US disclosed
US-20230340011-A1 STEROIDAL COMPOSITIONS AND METHODS OF TREATING LIPOGENIC CANCERS Asteroid Therapeutics 2023-10-26 US disclosed
WO-2023205801-A2 STEROIDAL COMPOSITIONS AND METHODS OF TREATING LIPOGENIC CANCERS Asteroid Therapeutics (US) 2023-10-26 WO disclosed
US-20230340011-A1 STEROIDAL COMPOSITIONS AND METHODS OF TREATING LIPOGENIC CANCERS Asteroid Therapeutics 2023-10-26 US disclosed
US-4619915-A ANTIINFECTION AGENTS PFIZER INC. (US) 1986-10-28 US disclosed
EP-0178845-A2 Peptide-substituted heterocyclic immunostimulants PFIZER INC. (US) 1986-04-23 EP disclosed
US-4264574-A MICROCAPSULES CONTAINED IN SPHERES FOR TREATING VERTICO AND CEREBROVASCULAR DEFICIENCIES CHERQUI JEAN S 1981-04-28 US disclosed
US-4229428-A FOR VERTIGO IN MENIERE'S SYNDROME CHERQUI JEAN S 1980-10-21 US disclosed
US-4159332-A Prevention of or reduction in severity of myocardial infarction UNIMED, INC. (US) 1979-06-26 US disclosed
US-3996364-A ANTISECRETORY SMITHKLINE CORPORATION (US) 1976-12-07 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 (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-12454547-B2 Steroidal compositions and methods of treating lipogenic cancers SREBF1, SREBF2, NR1H3 CYP1A2 935/4885ALDH1A1 3647/4885CYP2C19 2761/4885
US-20030078292-A1 Gambogic acid, analogs and derivatives as activators of caspases and inducers of apoptosis CASP5, CASP3, CASP7 CYP1A2 1773/4885ALDH1A1 2828/4885CYP2C19 2440/4885
US-20230340011-A1 STEROIDAL COMPOSITIONS AND METHODS OF TREATING LIPOGENIC CANCERS SREBF1, SREBF2, NR1H3 CYP1A2 935/4885ALDH1A1 3647/4885CYP2C19 2761/4885

“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.