SCHEMBL1880461

SCHEMBL1880461

N#Cc1ccc2[nH]c3c(c2c1)CC(N)CC3

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 5/20 0.61
HTR1D P28221 4/20 0.61
NR2E1 Q9Y466 1/20 0.59
HTR6 P50406 1/20 0.55
EGFR P00533 1/20 0.49
IGF1R P08069 1/20 0.49
FLT4 P35916 1/20 0.49
KDR P35968 1/20 0.49
SLC6A4 P31645 1/20 0.44
AR P10275 2/20 0.43
MAPK10 P53779 1/20 0.43
RIPK1 Q13546 1/20 0.43
KMT2A Q03164 2/20 0.41
HTR1A P08908 1/20 0.41
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
PARP1 P09874 1/20 0.40
CFTR P13569 1/20 0.39

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
SCHEMBL1887917 1.00 HTR1B (0.61) HTR1BHTR1DNR2E1HTR6EGFR
Hydrochloric Acid SCHEMBL7541739 0.99 HTR1B (0.60) HTR1BHTR1DNR2E1HTR6EGFR
SCHEMBL12870228 0.89 SLC6A4 (0.48) HTR1BHTR1DNR2E1HTR6SLC6A4
SCHEMBL1178619 0.89 SLC6A4 (0.48) HTR1BHTR1DNR2E1HTR6SLC6A4
SCHEMBL2026546 0.89 SLC6A4 (0.48) HTR1BHTR1DNR2E1HTR6SLC6A4
SCHEMBL1178621 0.89 SLC6A4 (0.48) HTR1BHTR1DNR2E1HTR6SLC6A4
SCHEMBL13478788 0.84 KMT2A (0.60) HTR1BHTR1DARMAPK10RIPK1
SCHEMBL16770071 0.84 KMT2A (0.60) HTR1BHTR1DARMAPK10RIPK1
SCHEMBL13282483 0.84 KMT2A (0.60) HTR1BHTR1DARMAPK10RIPK1
SCHEMBL7029893 0.84 AR (0.46) HTR1BHTR1DNR2E1ARMAPK10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0603432-B1 Tetrahydrocarbazole derivatives for the manufacture of a medicament for the treatment of a disease where a 5-HT1-like agonist is indicated SMITHKLINE BEECHAM PLC (GB) 1998-10-21 EP claimed
EP-0591280-B1 USE OF TETRAHYDROCARBAZOLE DERIVATIVES AS 5HT1-RECEPTOR AGONISTS SMITHKLINE BEECHAM PLC (GB) 1998-09-09 EP claimed
EP-0603432-A1 Tetrahydrocarbazole derivatives for the manufacture of a medicament for the treatment of a disease where a 5-HT1-like agonist is indicated SMITHKLINE BEECHAM PLC (GB) 1994-06-29 EP claimed
US-7935722-B2 Tetrahydrocarbazole derivatives useful as androgen receptor modulators ELI LILLY AND COMPANY (US) 2011-05-03 US disclosed
US-7935722-B2 Tetrahydrocarbazole derivatives useful as androgen receptor modulators ELI LILLY AND COMPANY (US) 2011-05-03 US disclosed
US-7935722-B2 Tetrahydrocarbazole derivatives useful as androgen receptor modulators ELI LILLY AND COMPANY (US) 2011-05-03 US disclosed
EP-1902026-B1 TETRAHYDROCARBAZOLE DERIVATIVES USEFUL AS ANDROGEN RECEPTOR MODULATORS (SARM) LILLY CO ELI (US) 2010-02-17 EP disclosed
US-20100022550-A1 TETRAHYDROCARBAZOLE DERIVATIVES USEFUL AS ANDROGEN RECEPTOR MODULATORS CELLECTIS (FR) 2010-01-28 US disclosed
US-20100022550-A1 TETRAHYDROCARBAZOLE DERIVATIVES USEFUL AS ANDROGEN RECEPTOR MODULATORS CELLECTIS (FR) 2010-01-28 US disclosed
US-20100022550-A1 TETRAHYDROCARBAZOLE DERIVATIVES USEFUL AS ANDROGEN RECEPTOR MODULATORS CELLECTIS (FR) 2010-01-28 US disclosed
EP-1902026-A2 TETRAHYDROCARBAZOLE DERIVATIVES USEFUL AS ANDROGEN RECEPTOR MODULATORS (SARM) ELI LILLY AND COMPANY (US) 2008-03-26 EP disclosed
WO-2007002181-A2 TETRAHYDROCARBAZOLE DERIVATIVES USEFUL AS ANDROGEN RECEPTOR MODULATORS (SARM) ELI LILLY AND COMPANY (US) 2007-01-04 WO disclosed
US-5827871-A VASODILATION DISORDERS, ESPECIALLY MIGRAINE HEADACHES; SIDE EFFECT REDUCTION SMITHKLINE BEECHAM PLC (GB) 1998-10-27 US disclosed
EP-0603432-B1 Tetrahydrocarbazole derivatives for the manufacture of a medicament for the treatment of a disease where a 5-HT1-like agonist is indicated SMITHKLINE BEECHAM PLC (GB) 1998-10-21 EP disclosed
EP-0591280-B1 USE OF TETRAHYDROCARBAZOLE DERIVATIVES AS 5HT1-RECEPTOR AGONISTS SMITHKLINE BEECHAM PLC (GB) 1998-09-09 EP disclosed
US-5637611-A Medicaments SMITHKLINE BEECHAM P.L.C. (GB) 1997-06-10 US disclosed
US-5464864-A Use of tetrahydrocarbazone derivatives as 5HT1 receptor agonists SMITHKLINE BEECHAM P.L.C. (GB) 1995-11-07 US disclosed
EP-0603432-A1 Tetrahydrocarbazole derivatives for the manufacture of a medicament for the treatment of a disease where a 5-HT1-like agonist is indicated SMITHKLINE BEECHAM PLC (GB) 1994-06-29 EP disclosed
EP-0591280-A1 USE OF TETRAHYDROCARBAZOLE DERIVATIVES AS 5HT1-RECEPTOR AGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-04-13 EP disclosed
WO-1993000086-A1 USE OF TETRAHYDROCARBAZONE DERIVATIVES AS 5HT1 RECEPTOR AGONISTS SMITHKLINE BEECHAM PLC (GB) 1993-01-07 WO 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 (1 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-20100022550-A1 TETRAHYDROCARBAZOLE DERIVATIVES USEFUL AS ANDROGEN RECEPTOR MODULATORS AR, SHBG, CYP17A1 HTR1B 1072/4885HTR1D 1781/4885NR2E1 633/4885

“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.