SCHEMBL11052133

SCHEMBL11052133

c1ccc(N2c3ccccc3C3CNCCC32)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 2/20 0.43
HTR2B P41595 3/20 0.40
HTR2C P28335 2/20 0.40
HTR2A P28223 1/20 0.40
SLC6A2 P23975 3/20 0.38
ADRA2C P18825 2/20 0.38
ADRB1 P08588 1/20 0.38
HRH2 P25021 1/20 0.38
ADRA1D P25100 1/20 0.38
HTR7 P34969 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
JAK3 P52333 1/20 0.36
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
SLC6A4 P31645 2/20 0.34
BPTF Q12830 1/20 0.33
ADRA2A P08913 1/20 0.33
DRD2 P14416 1/20 0.33
ADRA2B P18089 1/20 0.33

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
SCHEMBL11568676 1.00 SLC18A3 (0.43) SLC18A3HTR2BHTR2CHTR2ASLC6A2
SCHEMBL11052131 1.00 SLC18A3 (0.43) SLC18A3HTR2BHTR2CHTR2ASLC6A2
SCHEMBL11368333 0.89 HTR1A (0.39) HTR2BHTR2CHTR2ASLC6A2SLC6A4
SCHEMBL11368331 0.89 HTR1A (0.39) HTR2BHTR2CHTR2ASLC6A2SLC6A4
SCHEMBL22506859 0.88 SLC18A3 (0.40) SLC18A3HTR2BHTR2CSLC6A2ADRA2C
SCHEMBL11359449 0.85 HTR2C (0.42) HTR2BHTR2CHTR2ASLC6A2POLB
SCHEMBL11359447 0.85 HTR2C (0.42) HTR2BHTR2CHTR2ASLC6A2POLB
SCHEMBL11360178 0.84
SCHEMBL11360175 0.84
SCHEMBL11369801 0.82 HTR2C (0.40) HTR2BHTR2CHTR2ASLC6A2JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200321533-A1 COMPOUNDS FOR ORGANIC LIGHT EMITTING DIODE MATERIALS THE SCRIPPS RESEARCH INSTITUTE 2020-10-08 US disclosed
US-4432978-A NEUROLEPTIC AGENTS, TRANQUILIZERS PFIZER INC. (US) 1984-02-21 US disclosed
US-4431649-A TRANQUILIZERS PFIZER INC. (US) 1984-02-14 US disclosed
US-4431646-A TRANQUILIZERS; PSYCHOSIS; NERVOUS SYSTEM DISORDERS PFIZER INC. (US) 1984-02-14 US disclosed
US-4427679-A TRANQUILIZERS; PSYCHOLOGICAL DISORDERS PFIZER INC. (US) 1984-01-24 US disclosed
US-4337250-A NEUROLEPTIC AGENTS PFIZER INC. (US) 1982-06-29 US disclosed
US-4277404-A INTERMEDIATES FOR TRANQUILIZERS PFIZER INC. (US) 1981-07-07 US disclosed
US-4267331-A REDUCTIVE ALKYLATION OF A 5-PHENYL-2,3,4,4A,5,9B-HEXAHYDRO-1H-PYRIDO/4,3-B/INDOLE WITH A REDUCING AGENT AND A 2-HYDROXY-5- OR 6-PHENYLFURAN OR -PYRAN PFIZER INC. (US) 1981-05-12 US disclosed
US-4252812-A TRANQUILIZERS PFIZER INC. (US) 1981-02-24 US disclosed
US-4224329-A TRANQUILIZERS PFIZER INC. (US) 1980-09-23 US disclosed
US-4174453-A HYDROGENATION, ACIDFICATION ENDO LABORATORIES, INC. (US) 1979-11-13 US disclosed
US-3991199-A ANALGESICS AND SEDATIVES ENDO LABORATORIES, INC. (US) 1976-11-09 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 (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-20200321533-A1 COMPOUNDS FOR ORGANIC LIGHT EMITTING DIODE MATERIALS ALDH1A2, DDT, CLTB SLC18A3 1904/4885HTR2B 544/4885HTR2C 993/4885

“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.