SCHEMBL20655543

SCHEMBL20655543

CCCCCCOc1cccc2c1ccn2C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 1/20 0.42
▸ PPARG P37231 4/20 0.41
▸ MCHR1 Q99705 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ NR1I2 O75469 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CHRM2 P08172 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ ADRA2A P08913 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ HTR2B P41595 1/20 0.40
▸ SLC6A3 Q01959 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ CNR1 P21554 2/20 0.39
▸ CNR2 P34972 2/20 0.39
▸ HTR1B P28222 3/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ CYP2C9 P11712 1/20 0.37

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
SCHEMBL20655545 0.83 HTR2C (0.43) GRM2PPARGHTR1BHTR2CHTR6
SCHEMBL19089432 0.81 RHEB (0.50) MCHR1MEN1KMT2ANR1I2LMNA
SCHEMBL20655557 0.80 HTR6 (0.46) PPARGMCHR1MEN1KMT2ANR1I2
SCHEMBL4324839 0.76 ROCK1 (0.50) MAPTHTR2CHTR6
SCHEMBL347409 0.75 CNR1 (0.57) MCHR1MEN1KMT2ANR1I2LMNA
SCHEMBL6938193 0.75 CNR1 (0.57) MCHR1MEN1KMT2ANR1I2LMNA
SCHEMBL2917038 0.75 CNR1 (0.57) MCHR1MEN1KMT2ANR1I2LMNA
SCHEMBL18362160 0.74 HTR6 (0.48) GRM2PPARGHTR2CCYP2C9HTR6
SCHEMBL8459745 0.72 CYP1A2 (0.42) GRM2PPARGMCHR1CNR1CNR2
SCHEMBL6625887 0.71 HTR1B (0.43) PPARGMCHR1HTR1BCYP2C9HTR6

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-10342796-B2 Acrylanilide derivative, preparation method, and applications thereof in pharmacy ANCUREALL PHARMACEUTICAL (SHANGHAI) CO., LTD. (CN) 2019-07-09 — — US disclosed
US-20190015413-A1 ACRYLANILIDE DERIVATIVE, PREPARATION METHOD, AND APPLICATIONS THEREOF IN PHARMACY ANCUREALL PHARMACEUTICAL (SHANGHAI) CO., LTD. (CN) 2019-01-17 — — 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-10342796-B2 Acrylanilide derivative, preparation method, and applications thereof in pharmacy EGFR, ABL1, CSNK1A1 GRM2 2280/4885PPARG 1342/4885MCHR1 3475/4885
US-20190015413-A1 ACRYLANILIDE DERIVATIVE, PREPARATION METHOD, AND APPLICATIONS THEREOF IN PHARMACY EGFR, ABL1, CSNK1A1 GRM2 2280/4885PPARG 1342/4885MCHR1 3475/4885

“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.

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