SCHEMBL6375554

SCHEMBL6375554

COc1cc(C(C)N)ccc1OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
HPGD P15428 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
F2 P00734 2/20 0.52
F10 P00742 2/20 0.52
PRSS1 P07477 2/20 0.52
F7 P08709 2/20 0.52
PRSS2 P07478 1/20 0.52
F3 P13726 1/20 0.52
PRSS3 P35030 1/20 0.52
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
POLB P06746 1/20 0.51
GAA P10253 1/20 0.51
ALDH1A1 P00352 1/20 0.49
HTT P42858 1/20 0.49
KDM4E B2RXH2 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 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
SCHEMBL30806026 1.00 NPC1 (0.52) NPC1RAB9AHPGDSMN1; SMN2F2
Hydrochloric Acid SCHEMBL8747244 0.99 NPC1 (0.51) NPC1RAB9AHPGDSMN1; SMN2F2
SCHEMBL6376690 0.94 SMPD1 (0.51) SMN1; SMN2F2F10PRSS1F7
SCHEMBL10710291 0.92 CFD (0.49) NPC1RAB9AHPGDSMN1; SMN2F2
SCHEMBL31040316 0.90 F2 (0.44) NPC1RAB9AHPGDSMN1; SMN2F2
SCHEMBL12738664 0.88 NPC1 (0.55) NPC1RAB9AHPGDSMN1; SMN2F2
SCHEMBL28344001 0.85 NPC1 (0.56) NPC1RAB9AHPGDSMN1; SMN2F2
SCHEMBL28344002 0.85 NPC1 (0.56) NPC1RAB9AHPGDSMN1; SMN2F2
SCHEMBL30302240 0.84 MEN1 (0.49) SMN1; SMN2MEN1KMT2AHTR1AADRA1D
SCHEMBL14167832 0.84 MEN1 (0.54) NPC1RAB9AHPGDSMN1; SMN2F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115260185-B Deuterated derivative of corydaline and stephanine and preparation method thereof 杨征 2024-09-24 CN disclosed
EP-2848617-B1 DIARYL[A, G]QUINOLIZIDINE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND USES THEREOF SHANGHAI INST MATERIA MEDICA CAS (CN) 2022-01-12 EP disclosed
US-9751882-B2 Diaryl[A, G]quinolizidine compound, preparation method therefor, pharmaceutical composition, and uses thereof KINGSOUND & PARTNER (CN) 2017-09-05 US disclosed
US-9359372-B2 Hexahydrodibenzo[a,g]quinolizine compound, preparation method thereof, pharmaceutical composition and use thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2016-06-07 US disclosed
US-20150210711-A1 HEXAHYDRODIBENZO[A,G]QUINOLIZINE COMPOUND, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITION AND USE THEREOF SHANGHAI INST MATERIA MEDICA (CN) 2015-07-30 US disclosed
US-20150141419-A1 DIARYL[A, G]QUINOLIZIDINE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND USES THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2015-05-21 US disclosed
EP-2848617-A1 DIARYL[A, G]QUINOLIZIDINE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND USES THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2015-03-18 EP disclosed
US-20140088130-A1 HEXAHYDRODIBENZO[A,G]QUINOLIZINE COMPOUND, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITION AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2014-03-27 US disclosed
EP-1274687-B1 1,2,3,4- TETRAHYDROISOQUINOLINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2005-01-05 EP disclosed
US-6703392-B2 OREXIN RECEPTOR ANTAGONISTS FOR OBESITY OR SLEEPING DISORDER TREATMENT ACTELION PHARMACEUTICALS LTD. (CH) 2004-03-09 US disclosed
US-20030176415-A1 1,2,3,4-tetrahydroisoquinoline derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2003-09-18 US disclosed
EP-1274687-A1 1,2,3,4- TETRAHYDROISOQUINOLINE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2003-01-15 EP disclosed
WO-2001068609-A1 1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2001-09-20 WO disclosed
US-4191765-A 1-Aryloxy-2-hydroxy-3-aminopropanes HOECHST AKTIENGESELLSCHAFT (DE) 1980-03-04 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 (4 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-20140088130-A1 HEXAHYDRODIBENZO[A,G]QUINOLIZINE COMPOUND, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITION AND USE THEREOF HTR5A, HTR1A, HTR2C NPC1 1800/4885RAB9A 473/4885HPGD 410/4885
US-20150141419-A1 DIARYL[A, G]QUINOLIZIDINE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND USES THEREOF HTR5A, HTR1F, QDPR NPC1 2073/4885RAB9A 436/4885HPGD 584/4885
US-20030176415-A1 1,2,3,4-tetrahydroisoquinoline derivatives HCRTR2, HCRTR1, NPY2R NPC1 391/4885RAB9A 3058/4885HPGD 1038/4885
US-20150210711-A1 HEXAHYDRODIBENZO[A,G]QUINOLIZINE COMPOUND, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITION AND USE THEREOF HTR5A, HTR1A, HTR2C NPC1 1800/4885RAB9A 473/4885HPGD 410/4885

“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.