SCHEMBL19089432

SCHEMBL19089432

CCCCCCOc1cccc2c1ccn2C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RHEB Q15382 1/20 0.50
▸ MCHR1 Q99705 2/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ NR1I2 O75469 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ CHRM2 P08172 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ ADRA2A P08913 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ OPRK1 P41145 1/20 0.42
▸ HTR2B P41595 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ NR1H2 P55055 1/20 0.42
▸ NR1H3 Q13133 1/20 0.42
▸ CNR1 P21554 2/20 0.41
▸ CNR2 P34972 2/20 0.41
▸ HTR1B P28222 2/20 0.40
▸ PSEN1 P49768 1/20 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
SCHEMBL20655557 0.84 HTR6 (0.46) MCHR1MEN1NR1I2LMNACHRM2
SCHEMBL20655543 0.81 GRM2 (0.42) MCHR1MEN1NR1I2LMNACHRM2
SCHEMBL2917038 0.78 CNR1 (0.57) MCHR1MEN1NR1I2LMNACHRM2
SCHEMBL6938193 0.78 CNR1 (0.57) MCHR1MEN1NR1I2LMNACHRM2
SCHEMBL347409 0.78 CNR1 (0.57) MCHR1MEN1NR1I2LMNACHRM2
SCHEMBL18362160 0.77 HTR6 (0.48) CYP2C9CYP1A2CYP2C19HTR6
SCHEMBL7964114 0.76 RHEB (0.77) RHEBMAPTNR1H2NR1H3HTR6
SCHEMBL8459745 0.76 CYP1A2 (0.42) MCHR1CNR1CNR2HTR1BTP53
SCHEMBL6625887 0.75 HTR1B (0.43) MCHR1HTR1BCYP2C9CYP1A2CYP2C19
SCHEMBL769005 0.74 RHEB (0.55) RHEBMAPTHTR6

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-20190015413-A1 ACRYLANILIDE DERIVATIVE, PREPARATION METHOD, AND APPLICATIONS THEREOF IN PHARMACY ANCUREALL PHARMACEUTICAL (SHANGHAI) CO., LTD. (CN) 2019-01-17 — — US disclosed
WO-2017114500-A1 ACRYLANILIDE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATIONS THEREOF IN PHARMACY 恩瑞生物医药科技(上海)有限公司 2017-07-06 — — WO 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-20190015413-A1 ACRYLANILIDE DERIVATIVE, PREPARATION METHOD, AND APPLICATIONS THEREOF IN PHARMACY EGFR, ABL1, CSNK1A1 RHEB 3684/4885MCHR1 3475/4885MEN1 4602/4885

“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.

Send feedback