SCHEMBL2397286

SCHEMBL2397286

NC1CCc2[nH]c3ccc(O)cc3c2C1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 5/20 0.67
HTR1D P28221 4/20 0.65
NR2E1 Q9Y466 1/20 0.64
EGFR P00533 1/20 0.64
IGF1R P08069 1/20 0.64
FLT4 P35916 1/20 0.64
KDR P35968 1/20 0.64
HTR6 P50406 1/20 0.58
KMT2A Q03164 2/20 0.47
SIRT1 Q96EB6 1/20 0.47
DRD2 P14416 2/20 0.46
DRD3 P35462 2/20 0.46
OPRK1 P41145 1/20 0.46
HTR1A P08908 1/20 0.46
MEN1 O00255 1/20 0.44
HTR2A P28223 4/20 0.43
HTR2C P28335 4/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43

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
SCHEMBL24408213 1.00 HTR1B (0.67) HTR1BHTR1DNR2E1EGFRIGF1R
SCHEMBL24408397 1.00 HTR1B (0.67) HTR1BHTR1DNR2E1EGFRIGF1R
SCHEMBL11426192 0.88 NR2E1 (0.64) HTR1BHTR1DNR2E1EGFRIGF1R
Hydrochloric Acid SCHEMBL11418365 0.87 NR2E1 (0.62) HTR1BHTR1DNR2E1EGFRIGF1R
SCHEMBL24408304 0.84 HTR1B (0.51) HTR1BHTR1DNR2E1EGFRIGF1R
SCHEMBL15281767 0.84 HTR1B (0.67) HTR1BHTR1DNR2E1EGFRIGF1R
SCHEMBL14624295 0.84 HTR1B (0.67) HTR1BHTR1DNR2E1EGFRIGF1R
SCHEMBL9336395 0.82 HTR1B (0.65) HTR1BHTR1DNR2E1EGFRIGF1R
SCHEMBL6529421 0.82 HTR1B (0.65) HTR1BHTR1DNR2E1EGFRIGF1R
SCHEMBL833780 0.82 HTR1B (0.65) HTR1BHTR1DNR2E1EGFRIGF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220144839-A1 INDOLE AHR INHIBITORS AND USES THEREOF PAHR THERAPEUTICS, INC. 2022-05-12 US disclosed
US-20110223166-A1 Methods for Preventing Pressure-Induced Apoptotic Neural-Cell Death MINAS THEODORE CORONEO (AU) 2011-09-15 US disclosed
US-20060013814-A1 Methods for preventing pressure-induced apoptotic neural-cell death DAVIES COLLISON CAVE (AU) 2006-01-19 US disclosed
US-6380201-B1 Methods of treating or ameliorating the symptoms of common cold or allergic rhinitis with serotonin 5-HT1F agonists ELI LILLY AND COMPANY 2002-04-30 US disclosed
EP-0782568-B1 AROMATIC ETHERS DERIVED FROM INDOLS SUCH AS 5HT1-LIKE LIGANDS PF MEDICAMENT (FR) 2002-04-24 EP disclosed
EP-0749962-B1 6-substituted-1,2,3,4-tetrahydro-9H-carbazoles and 7-substituted-10H-cyclohepta(7,6-B)indoles LILLY CO ELI (US) 2000-11-02 EP disclosed
US-5962473-A Methods of treating or ameliorating the symptoms of common cold or allergic rhinitis with serotonin 5-HT1F ELI LILLY AND COMPANY (US) 1999-10-05 US disclosed
US-5852049-A Aromatic ethers derived from indoles which are useful as medicaments PIERRE FABRE MEDICAMENT (FR) 1998-12-22 US disclosed
US-5814653-A SUMATRIPTAN FOR RELIEF OF MIGRAINE PAIN AND OTHER DISORDERS ASSOCIATED WITH PEPTIDE EXTRAVASATION DIE TO STUMULATION OF THE TRIGEMINAL GANGLIA; 5-HT 1F AGONISTS ELI LILLY AND COMPANY (US) 1998-09-29 US disclosed
EP-0832650-A2 Use of serotonin 5-HT1F agonists for the prevention of migraine ELI LILLY AND COMPANY (US) 1998-04-01 EP disclosed
EP-0824917-A2 Use of a serotonin 5-HTlf agonist in the manufacture of a medicament for treating or ameliorating the symptoms of common cold or allergic rhinitis ELI LILLY AND COMPANY (US) 1998-02-25 EP disclosed
US-5708187-A MIGRANE HEADACHES ELI LILLY AND COMPANY (US) 1998-01-13 US disclosed
EP-0782568-A1 AROMATIC ETHERS DERIVED FROM INDOLS SUCH AS 5HT1-LIKE LIGANDS PIERRE FABRE MEDICAMENT (FR) 1997-07-09 EP disclosed
EP-0749962-A1 6-substituted-1,2,3,4-tetrahydro-9H-carbazoles and 7-substituted-10H-cyclohepta(7,6-B)indoles ELI LILLY AND COMPANY (US) 1996-12-27 EP disclosed
WO-1996026936-A1 NOVEL CYCLIC AMINO-INDOLE PIPERAZINE DERIVATIVES, PREPARATION PROCESS AND UTILIZATION AS MEDICAMENTS PIERRE FABRE MEDICAMENT (FR) 1996-09-06 WO disclosed
WO-1996009288-A1 AROMATIC ETHERS DERIVED FROM INDOLS SUCH AS 5HT1-LIKE LIGANDS PIERRE FABRE MEDICAMENT (FR) 1996-03-28 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 (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-20220144839-A1 INDOLE AHR INHIBITORS AND USES THEREOF AHR, ARNT, IDO1 HTR1B 76/4885HTR1D 179/4885NR2E1 391/4885
US-20060013814-A1 Methods for preventing pressure-induced apoptotic neural-cell death BAX, CASP3, BCL2 HTR1B 2426/4885HTR1D 3251/4885NR2E1 3076/4885
US-20110223166-A1 Methods for Preventing Pressure-Induced Apoptotic Neural-Cell Death BAX, CASP3, BCL2 HTR1B 2426/4885HTR1D 3251/4885NR2E1 3076/4885

“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.