SCHEMBL4194166

SCHEMBL4194166

Cc1ccccc1-c1ccccc1COCCN(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
DRD1 P21728 2/20 0.42
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
DRD5 P21918 1/20 0.42
HTR7 P34969 5/20 0.41
CYP2D6 P10635 3/20 0.40
HRH1 P35367 3/20 0.40
CHRM2 P08172 2/20 0.40
CHRM4 P08173 2/20 0.40
CHRM5 P08912 2/20 0.40
ADRA2A P08913 2/20 0.40
CHRM1 P11229 2/20 0.40
ADRA2B P18089 2/20 0.40
CHRM3 P20309 2/20 0.40
SLC6A2 P23975 2/20 0.40
HRH2 P25021 2/20 0.40
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40

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
SCHEMBL4670353 0.86 FFAR1 (0.46) HTR7CYP2D6ADRA2AADRA2BCHRM3
SCHEMBL7688533 0.84 DRD3 (0.44) DRD1DRD2CYP2D6CHRM2CHRM1
SCHEMBL5268171 0.82 FFAR1 (0.48) HTR7CYP2D6ADRA2AADRA2BCYP2C19
SCHEMBL30786891 0.81 FFAR1 (0.43) HTR7CYP2D6CHRM3CYP2C19CYP3A4
SCHEMBL4199005 0.81 ADRB2 (0.48) ADRB2ADRB1DRD1DRD2DRD4
SCHEMBL4669318 0.80 FFAR1 (0.45) HTR7CHRM3FFAR1FFAR4ALDH1A1
SCHEMBL15845873 0.75 TAAR1 (0.59) ADRB2ADRB1DRD1DRD2DRD4
SCHEMBL6771225 0.73 CYP1A2 (0.47) HTR7CYP2D6SLC6A2HTR2ASLC6A4
SCHEMBL13176996 0.73 FFAR1 (0.47) HTR7CYP2D6CYP2C19CYP3A4FFAR1
SCHEMBL2792229 0.73 ADRA1A (0.44) ADRB2ADRB1DRD1DRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8703823-B2 Methods for treatment of migraine and symptoms thereof SALEHANI FOAD (US) 2014-04-22 US disclosed
US-20090018205-A1 METHODS FOR TREATMENT OF MIGRAINE AND SYMPTOMS THEREOF SALEHANI FOAD 2009-01-15 US disclosed
US-7449174-B2 Delivery of analgesics through an inhalation route ALEXZA PHARMACEUTICALS, INC. (US) 2008-11-11 US disclosed
US-20060251587-A1 Delivery of analgesics through an inhalation route ALEXZA PHARMACEUTICALS, INC. (US) 2006-11-09 US disclosed
US-7070762-B2 Delivery of analgesics through an inhalation route ALEXZA PHARMACEUTICALS, INC. (US) 2006-07-04 US disclosed
US-7070764-B2 Delivery of analgesics through an inhalation route ALEXZA PHARMACEUTICALS, INC. (US) 2006-07-04 US disclosed
US-20050282879-A1 Methods and composition for treatment of migraine and symptoms thereof SALEHANI FOAD 2005-12-22 US disclosed
US-6855310-B2 Aerosol for inhalation therapy, wherein the aerosol comprises particles comprising at least 10 percent by weight of acetaminophen, orphenadrine or tramadol. ALEXZA MOLECULAR DELIVERY CORPORATION (US) 2005-02-15 US disclosed
US-20040191182-A1 Delivery of analgesics through an inhalation route ALEXZA MOLECULAR DELIVERY CORPORATION 2004-09-30 US disclosed
US-20040126329-A1 Delivery of analgesics through an inhalation route ALEXZA MOLECULAR DELIVERY CORPORATION 2004-07-01 US disclosed
US-20030017117-A1 Delivery of analgesics through an inhalation route ALEXZA PHARMACEUTICALS, INC. 2003-01-23 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 (2 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-20050282879-A1 Methods and composition for treatment of migraine and symptoms thereof HRH3, HRH4, HNMT ADRB2 347/4885ADRB1 578/4885DRD1 1729/4885
US-20090018205-A1 METHODS FOR TREATMENT OF MIGRAINE AND SYMPTOMS THEREOF HNMT, HRH3, HRH4 ADRB2 459/4885ADRB1 681/4885DRD1 1807/4885

“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.