SCHEMBL6364152

SCHEMBL6364152

NCCc1cn2c3c(cc(F)cc13)CCC2

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 8/20 0.63
HTR2C P28335 6/20 0.63
MTNR1A P48039 5/20 0.38
MTNR1B P49286 5/20 0.38
MPO P05164 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
HTR1A P08908 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 2/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CYP1A2 P05177 1/20 0.30

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
SCHEMBL10199629 0.77 HTR2A (1.00) HTR2AHTR2CMTNR1AMTNR1B
SCHEMBL7734067 0.76 MTNR1A (0.41) HTR2AHTR2CMTNR1AMTNR1B
SCHEMBL9079125 0.72 HTR2A (0.89) HTR2AHTR2CMTNR1AMTNR1B
SCHEMBL5796602 0.65 KDM4E (0.39) HTR2AHTR2CMTNR1AMTNR1BKDM4E
SCHEMBL6325423 0.63 MCL1 (0.33) HTR2AHTR2C
SCHEMBL2345293 0.61 HTR2A (0.70) HTR2AHTR2CMTNR1AMTNR1BKMT2A
SCHEMBL27568441 0.61 HTR2A (0.30) HTR2AHTR2C
SCHEMBL2349253 0.60 HTR2A (0.69) HTR2AHTR2CMTNR1AMTNR1B
SCHEMBL10199858 0.60 HTR2A (1.00) HTR2AHTR2CTRPM8
Hydrochloric Acid SCHEMBL20563150 0.60 KMT2A (0.39) HTR2AHTR2CKMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6960608-B2 Intraocular pressure ALCON, INC. (CH) 2005-11-01 US disclosed
US-6933392-B2 Hydroxy substituted fused naphthyl-azoles and fused indeno-azoles and their use for the treatment of glaucoma ALCON, INC. (CH) 2005-08-23 US disclosed
US-6884816-B2 Hydroxy substituted fused naphthyl-azoles and fused indeno-azoles and their use for the treatment of glaucoma ALCON, INC. (CH) 2005-04-26 US disclosed
US-20040106597-A1 Novel fused indazoles and indoles and their use for the treatment of glaucoma NOVARTIS AG (CH) 2004-06-03 US disclosed
US-20030181504-A1 Hydroxy substituted fused naphthyl-azoles and fused indeno-azoles and their use for the treatment of glaucoma MAY JESSE A (US) 2003-09-25 US disclosed
US-20030181503-A1 Hydroxy substituted fused naphthyl-azoles and fused indeno-azoles and their use for the treatment of glaucoma NOVARTIS AG (CH) 2003-09-25 US disclosed
US-20030083346-A1 Hydroxy substituted fused naphthyl-azoles and fused indeno-azoles and their use for the treatment of glaucoma ALCON, INC. (CH) 2003-05-01 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-20030181503-A1 Hydroxy substituted fused naphthyl-azoles and fused indeno-azoles and their use for the treatment of glaucoma CYP11B1, CYP11B2, SQLE HTR2A 3176/4885HTR2C 2661/4885MTNR1A 742/4885
US-20030083346-A1 Hydroxy substituted fused naphthyl-azoles and fused indeno-azoles and their use for the treatment of glaucoma CYP11B1, CYP11B2, SQLE HTR2A 3176/4885HTR2C 2661/4885MTNR1A 742/4885
US-20030181504-A1 Hydroxy substituted fused naphthyl-azoles and fused indeno-azoles and their use for the treatment of glaucoma CYP11B1, CYP11B2, SQLE HTR2A 3176/4885HTR2C 2661/4885MTNR1A 742/4885
US-20040106597-A1 Novel fused indazoles and indoles and their use for the treatment of glaucoma IDO1, IDO2, GLI1 HTR2A 947/4885HTR2C 958/4885MTNR1A 47/4885

“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.