SCHEMBL21087138

SCHEMBL21087138

Cc1cccc(CC2=CCNCC2)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.47
HTR2B P41595 1/20 0.47
DAO P14920 2/20 0.43
POLB P06746 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
IDO1 P14902 2/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KHK P50053 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
HTR6 P50406 1/20 0.36
SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL7170745 0.80 HTR2C (0.42) HTR2CHTR2BDAOIDO1KHK
SCHEMBL7404347 0.80 SIGMAR1 (0.50) HTR2CHTR2BTAAR1HTR6SIGMAR1
SCHEMBL9763617 0.80 DAO (0.46) HTR2CHTR2BDAOPOLBMEN1
Hydrochloric Acid SCHEMBL1574641 0.78 HTR2C (0.52) HTR2CHTR2BTAAR1HTR6SIGMAR1
SCHEMBL21494727 0.74 DAO (0.45) HTR2CHTR2BDAOPOLBMEN1
SCHEMBL30513714 0.74 DAO (0.45) HTR2CHTR2BDAOPOLBMEN1
SCHEMBL7065679 0.72 CHRM3 (0.40) HTR2CHTR2BSIGMAR1
SCHEMBL29459538 0.71 TAAR1 (0.60) DAOTAAR1IDO1HRH3
SCHEMBL1263547 0.71 TAAR1 (0.60) DAOTAAR1IDO1HRH3
SCHEMBL30000562 0.71 TAAR1 (0.60) DAOTAAR1IDO1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10662189-B2 PDE4 inhibitor Shijiazhuang Sagacity New Drug Development Co., Ltd. (CN) 2020-05-26 US disclosed
US-20190177318-A1 PDE4 INHIBITOR MEDSHINE DISCOVERY INC. (CN) 2019-06-13 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-20190177318-A1 PDE4 INHIBITOR PDE4A, PDE12, PDE4B HTR2C 3205/4885HTR2B 2437/4885DAO 864/4885
US-10662189-B2 PDE4 inhibitor PDE4A, PDE12, PDE4B HTR2C 3205/4885HTR2B 2437/4885DAO 864/4885

“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.