SCHEMBL6187762

SCHEMBL6187762

NCC1(CO)Cc2ccccc2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.39
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
KDM1A O60341 1/20 0.33
CYP2D6 P10635 2/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
HTR2C P28335 2/20 0.33
HTR1A P08908 1/20 0.33
HTR1B P28222 1/20 0.33
HTR7 P34969 1/20 0.33
HTR6 P50406 1/20 0.33
RET P07949 1/20 0.32
DPP4 P27487 1/20 0.32
HRH1 P35367 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
MME P08473 1/20 0.31

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
SCHEMBL6818072 0.76 USP2 (0.48) CYP2D6HDAC9ALDH1A1KMT2AMME
SCHEMBL30492670 0.73 BUB1 (0.40) HTR2AALDH1A1KMT2A
SCHEMBL7185718 0.73 BUB1 (0.40) HTR2AALDH1A1KMT2A
SCHEMBL75787 0.73 KDM1A (0.39) HTR2AMAOAMAOBKDM1ADPP4
SCHEMBL20130556 0.73 HTR2A (0.42) HTR2AMAOAMAOBTAAR1CYP2D6
SCHEMBL21621578 0.71 ADRA2A (0.39) HTR2AMAOAMAOBTAAR1KDM1A
SCHEMBL75539 0.70 HTR2A (0.43) HTR2AMAOAMAOBTAAR1HTR2C
SCHEMBL18091534 0.70 ESR2 (0.35) KDM1ADPP4HDAC9MME
Hydrochloric Acid SCHEMBL9515954 0.70 ADRA2A (0.38) HTR2AMAOAMAOBTAAR1HTR2C
SCHEMBL24821401 0.67 HDAC9 (0.35) HTR2AHDAC9ALDH1A1KMT2AMME

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050256166-A1 Nitrogen-containing compounds ONO PHARMACEUTICAL CO., LTD. (JP) 2005-11-17 US disclosed
EP-1535906-A1 NITROGEN-CONTAINING COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 2005-06-01 EP disclosed
US-6166010-A Azine derivatives YASHIMA CHEMICAL INDUSTRY CO., LTD (JP) 2000-12-26 US disclosed
EP-0635500-A1 5,6-Dihydro-(4H)1,3-oxazine and -thiazine derivatives as insecticides YASHIMA CHEMICAL INDUSTRY CO., LTD. (JP) 1995-01-25 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-20050256166-A1 Nitrogen-containing compounds DPP4, DPP3, DPP8 HTR2A 2421/4885MAOA 1806/4885MAOB 958/4885

“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.