SCHEMBL21764563

SCHEMBL21764563

C=C(c1ccc(CN(C)C)cc1)C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.48
ALDH1A1 P00352 3/20 0.43
TSHR P16473 2/20 0.43
TAAR1 Q96RJ0 2/20 0.42
LSS P48449 3/20 0.42
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
MCHR1 Q99705 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
GPR119 Q8TDV5 1/20 0.35
PYCR1 P32322 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL607930 0.78 HRH3 (0.54) HRH3ALDH1A1TSHRTAAR1LSS
SCHEMBL12632249 0.77 LSS (0.49) HRH3ALDH1A1TSHRTAAR1LSS
SCHEMBL26345944 0.76 HRH3 (0.52) HRH3ALDH1A1TSHRTAAR1LSS
SCHEMBL659509 0.73 HRH3 (0.82) HRH3ALDH1A1TSHRTAAR1NOS3
SCHEMBL22651931 0.73 HRH3 (0.48) HRH3ALDH1A1TSHRTAAR1LSS
SCHEMBL610268 0.73 ALDH1A1 (0.59) HRH3ALDH1A1TSHRTAAR1NOS3
SCHEMBL11878418 0.72 NR1H4 (0.50) ALDH1A1TSHRLMNAGAA
SCHEMBL3674783 0.72 LSS (0.48) HRH3ALDH1A1TSHRTAAR1LSS
SCHEMBL25137173 0.71 HRH3 (0.56) HRH3ALDH1A1TSHRTAAR1LSS
SCHEMBL25910281 0.70 HRH3 (0.45) HRH3ALDH1A1TSHRTAAR1LSS

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-11147889-B2 Albumin-binding PSMA inhibitors CANCER TARGETED TECHNOLOGY LLC (US) 2021-10-19 US disclosed
US-20200061218-A1 Albumin-Binding PSMA Inhibitors CANCER TARGETED TECHNOLOGY LLC 2020-02-27 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-11147889-B2 Albumin-binding PSMA inhibitors PSMA1, ALB, PSMA2 HRH3 3176/4885ALDH1A1 294/4885TSHR 3558/4885
US-20200061218-A1 Albumin-Binding PSMA Inhibitors PSMA1, ALB, PSMA2 HRH3 3176/4885ALDH1A1 294/4885TSHR 3558/4885

“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.