SCHEMBL261487

SCHEMBL261487

O=C1CCc2c[nH]c3cccc1c23

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.64
HTR3A P46098 2/20 0.48
TYMS P04818 1/20 0.46
MEN1 O00255 2/20 0.43
USP2 O75604 2/20 0.43
KMT2A Q03164 2/20 0.43
S100A4 P26447 1/20 0.43
DRD2 P14416 4/20 0.39
DRD4 P21917 4/20 0.39
DRD5 P21918 4/20 0.39
DRD3 P35462 4/20 0.39
DRD1 P21728 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
MAPT P10636 1/20 0.36
RECQL P46063 1/20 0.36
PLEC Q15149 1/20 0.36

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
SCHEMBL11242694 0.90 PARP1 (0.60) PARP1HTR3ATYMSMEN1USP2
SCHEMBL10955932 0.90 PARP1 (0.60) PARP1HTR3ATYMSDRD2DRD4
SCHEMBL10672758 0.86 PARP1 (0.51) PARP1HTR3ATYMSMEN1USP2
SCHEMBL29687934 0.78 PARP1 (1.00) PARP1HTR3AMTNR1AMTNR1B
SCHEMBL742407 0.78 PARP1 (1.00) PARP1HTR3AMTNR1AMTNR1B
SCHEMBL12628019 0.77 NPC1 (0.55) PARP1HTR3ADRD2DRD4DRD5
SCHEMBL743601 0.74 PARP1 (1.00) PARP1HTR3AMEN1USP2KMT2A
Phosphoric Acid SCHEMBL29456911 0.72 PARP1 (0.86) PARP1HTR3AMTNR1AMTNR1B
SCHEMBL6311706 0.72 PARP1 (0.48) PARP1HTR3AMEN1USP2KMT2A
SCHEMBL13557123 0.71 HTR3A (0.67) PARP1HTR3AMEN1USP2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163752-B2 Tricyclic anilide heterocyclic CGRP receptor antagonists Merck, Sharp & Dohme Corp. (US) 2012-04-24 US disclosed
US-8163752-B2 Tricyclic anilide heterocyclic CGRP receptor antagonists Merck, Sharp & Dohme Corp. (US) 2012-04-24 US disclosed
US-8133891-B2 Tricyclic anilide spirolactam CGRP receptor antagonists Merck, Sharp & Dohme Corp. (US) 2012-03-13 US disclosed
US-8133891-B2 Tricyclic anilide spirolactam CGRP receptor antagonists Merck, Sharp & Dohme Corp. (US) 2012-03-13 US disclosed
US-20100160334-A1 TRICYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-06-24 US disclosed
US-20100160334-A1 TRICYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-06-24 US disclosed
US-20100137328-A1 TRICYCLIC ANILIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-06-03 US disclosed
US-20100137328-A1 TRICYCLIC ANILIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-06-03 US disclosed
US-7696192-B2 Tricyclic anilide spirolactam CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2010-04-13 US disclosed
US-7696192-B2 Tricyclic anilide spirolactam CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2010-04-13 US disclosed
US-20080214511-A1 Tricyclic Anilide Spirolactam Cgrp Receptor Antagonists MERCK & CO., INC. (US) 2008-09-04 US disclosed
US-5466689-A Analgesics TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-11-14 US disclosed
EP-0610793-A1 Tetracyclic morpholine derivatives and their use or analgesics Takeda Chemical Industries, Ltd. (JP) 1994-08-17 EP disclosed
US-5026869-A Antidepressants; serotonin antagonists ELI LILLY AND COMPANY (US) 1991-06-25 US disclosed
US-4983622-A Antidepressants ELI LILLY AND COMPANY (US) 1991-01-08 US disclosed
EP-0153083-B1 6-SUBSTITUTED-4-DIALKYLAMINOTETRAHYDROBENZ(C,D)INDOLES ELI LILLY AND COMPANY (US) 1990-05-23 EP disclosed
US-4576959-A ANTIDEPRESSANTS ELI LILLY AND COMPANY (US) 1986-03-18 US disclosed
US-4543415-A Process for preparing tricyclic indoles MERCK & CO., INC. (US) 1985-09-24 US disclosed
US-4543415-A Process for preparing tricyclic indoles MERCK & CO., INC. (US) 1985-09-24 US disclosed
EP-0153083-A2 6-Substituted-4-dialkylaminotetrahydrobenz(c,d)indoles ELI LILLY AND COMPANY (US) 1985-08-28 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 (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-20080214511-A1 Tricyclic Anilide Spirolactam Cgrp Receptor Antagonists BDKRB1, CALCRL, BDKRB2 PARP1 3077/4885HTR3A 395/4885TYMS 2362/4885
US-20100160334-A1 TRICYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS BDKRB1, CALCRL, BDKRB2 PARP1 3077/4885HTR3A 395/4885TYMS 2362/4885
US-20100137328-A1 TRICYCLIC ANILIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS BDKRB1, CCKBR, BDKRB2 PARP1 2056/4885HTR3A 207/4885TYMS 3288/4885

“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.