SCHEMBL5705100

SCHEMBL5705100

C1=C(c2c[nH]c3ccc(OCc4ccccc4)cc23)CCNC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.66
MAPT P10636 3/20 0.66
HTR6 P50406 3/20 0.66
ALDH1A1 P00352 2/20 0.66
HTR2C P28335 2/20 0.66
HSD17B10 Q99714 2/20 0.66
HTR1D P28221 2/20 0.66
MEN1 O00255 1/20 0.66
CYP1A2 P05177 1/20 0.66
CYP3A4 P08684 1/20 0.66
MAPK1 P28482 1/20 0.66
BRCA1 P38398 1/20 0.66
KMT2A Q03164 1/20 0.66
DRD2 P14416 3/20 0.58
ALOX15 P16050 1/20 0.58
JAK2 O60674 1/20 0.55
PRKD3 O94806 1/20 0.55
MARK3 P27448 1/20 0.55
PRKCI P41743 1/20 0.55
PRKCD Q05655 1/20 0.55

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
SCHEMBL6133895 0.91 ALDH1A1 (0.58) KDM4EMAPTHTR6ALDH1A1HTR2C
SCHEMBL6841621 0.81 HTR1D (0.49) KDM4EMAPTHTR6ALDH1A1HTR2C
SCHEMBL8925573 0.80 HTR1D (0.69) KDM4EMAPTHTR6ALDH1A1HTR2C
Ru-24969 SCHEMBL29390076 0.80 HTR6 (1.00) KDM4EMAPTHTR6ALDH1A1HTR2C
Ru-24969 SCHEMBL2359264 0.80 HTR6 (1.00) KDM4EMAPTHTR6ALDH1A1HTR2C
SCHEMBL5365266 0.80 SLC6A4 (0.69) KDM4EHTR6HSD17B10DRD2ALOX15
SCHEMBL31640013 0.79 HTR6 (0.52) HTR6HTR2CPRMT5
SCHEMBL7649906 0.79 HTR1A (0.83) DRD2HTR1AHTR2A
Hydrochloric Acid SCHEMBL29923085 0.78 PRMT5 (0.62) MAPTHTR6HTR2CCYP1A2PRMT5
SCHEMBL7392593 0.77 JAK2 (0.69) KDM4EMAPTHTR6ALDH1A1HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1691807-A1 INDOLE DERIVATIVES FOR THE TREATMENT OF BONE DISEASES Astellas Pharma Inc. (JP) 2006-08-23 EP disclosed
US-20050245540-A1 New methods FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-11-03 US disclosed
WO-2005056012-A1 INDOLE DERIVATIVES FOR THE TREATMENT OF BONE DISEASES ASTELLAS PHARMA INC. (JP) 2005-06-23 WO disclosed
EP-0768301-B1 N-(2-substituted-3-(2-aminoethyl)-1H-indol-5-yl)-amides as new 5-HT1F agonists LILLY CO ELI (US) 2003-04-02 EP disclosed
EP-0708102-B1 5-HT1F agonists for the treatment of migraine LILLY CO ELI (US) 2002-12-11 EP disclosed
EP-0733628-B9 5-Substituted-3-(1,2,3,6-tetrahydropyridin-4-yl)- and 3-(piperidin-4-yl)-1H-indoles: 5-HT1F agonists LILLY CO ELI (US) 2002-06-12 EP disclosed
EP-0733628-B1 5-Substituted-3-(1,2,3,6-tetrahydropyridin-4-yl)- and 3-(piperidin-4-yl)-1H-indoles: 5-HT1F agonists LILLY CO ELI (US) 2000-12-27 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-6126932-A INSOLUBLE POLYMER BEARING PENDANT SIDE CHAINS, SAID SIDE CHAINS EACH TERMINATING WITH THE 1-(3-(1-PYRROLIDINYL)-PROPYL)-3-ETHYLCARBODIIMIDE MOIETY. ELI LILLY AND COMPANY (US) 2000-10-03 US disclosed
EP-0994109-A2 1-(3-(1-Pyrrolidinyl)propyl)-3-ethylcarbodiimide and a solid phase coupling agent ELI LILLY AND COMPANY (US) 2000-04-19 EP disclosed
WO-1997000244-A1 PROCESS FOR PARALLEL SYNTHESIS OF A NON-PEPTIDE LIBRARY ELI LILLY AND COMPANY (US) 1997-01-03 WO 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-1996029075-A1 5-SUBSTITUTED-3-(1,2,3,6-TETRAHYDROPYRIDIN-4-YL)- AND 3-(PIPERIDIN-4-YL)-1H-INDOLES: NEW 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 1996-09-26 WO disclosed
EP-0733628-A1 5-Substituted-3-(1,2,3,6-tetrahydropyridin-4-yl)- and 3-(piperidin-4-yl)-1h-indoles: new 5-ht1f agonists ELI LILLY AND COMPANY (US) 1996-09-25 EP disclosed
EP-0714894-A1 3-(1,2,3,6-tetrahydro-(1-alkylenearyl)-4-pyridinyl)- and 3-(1-alkylenearyl)-4-piperidinyl-1h-indoles: new 5-HT1f agonists ELI LILLY AND COMPANY (US) 1996-06-05 EP disclosed
US-5521196-A ANALGESICS USING SEROTONIN ANTAGONIST ELI LILLY AND COMPANY (US) 1996-05-28 US disclosed
US-5521197-A ANALGESICS USING SEROTONIN ANTAGONIST ELI LILLY AND COMPANY (US) 1996-05-28 US disclosed
EP-0708102-A1 5-HT1F agonists for the treatment of migraine ELI LILLY AND COMPANY (US) 1996-04-24 EP disclosed
WO-1996011006-A1 5-HT1F MEDIATED INHIBITION OF NEUROGENIC MENINGEAL EXTRAVASATION ELI LILLY AND COMPANY (US) 1996-04-18 WO disclosed
EP-0705600-A1 Use of 5-HT1F-receptor agonists for the treatment of migraine ELI LILLY AND COMPANY (US) 1996-04-10 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 (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-20050245540-A1 New methods TGFB1, TGFBR1, TGFB2 KDM4E 3172/4885MAPT 4269/4885HTR6 1013/4885

“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.