SCHEMBL11201568

SCHEMBL11201568

CC(C)(C)NCC(O)COc1ccccc1Cl

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.68
ADRB2 P07550 7/20 0.67
ADRB1 P08588 5/20 0.67
HTR1A P08908 2/20 0.65
ADRA2A P08913 2/20 0.65
ADRA2B P18089 1/20 0.65
MAOA P21397 1/20 0.65
HTR2B P41595 1/20 0.65
CASR P41180 1/20 0.65
CYP2D6 P10635 3/20 0.64
CYP1A2 P05177 2/20 0.61
ADRA1A P35348 2/20 0.61
USP2 O75604 1/20 0.61
CHRM1 P11229 1/20 0.61
CYP2C9 P11712 1/20 0.61
DRD1 P21728 1/20 0.61
TBXA2R P21731 1/20 0.61
PTGS1 P23219 1/20 0.61
SLC6A2 P23975 1/20 0.61
SLC6A4 P31645 1/20 0.61

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
SCHEMBL22640075 1.00 MAPT (0.68) MAPTADRB2ADRB1HTR1AADRA2A
SCHEMBL11870445 0.89 MAPT (0.78) MAPTADRB2ADRB1HTR1AADRA2A
Hydrochloric Acid SCHEMBL11870616 0.88 MAPT (0.81) MAPTADRB2ADRB1HTR1AADRA2A
SCHEMBL10807838 0.86 CASR (0.66) MAPTADRB2ADRB1HTR1AADRA2A
Cloranolol SCHEMBL80493 0.83 SLC2A1 (0.62) MAPTADRB2ADRB1HTR1AADRA2A
Cloranolol SCHEMBL80494 0.83 SLC2A1 (0.62) MAPTADRB2ADRB1HTR1AADRA2A
SCHEMBL10774981 0.82 MAPT (0.68) MAPTADRB2ADRB1HTR1AADRA2A
SCHEMBL10595597 0.82 MAPT (0.68) MAPTADRB2ADRB1HTR1AADRA2A
Pargolol SCHEMBL1254705 0.82 MAPT (0.67) MAPTADRB2ADRB1HTR1AADRA2A
Cloranolol SCHEMBL1230788 0.82 KMT2A (0.63) MAPTADRB2ADRB1HTR1AADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10828281-B2 Non-hydrophobic compounds for use in treating metastasis and/or cartilage defect Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) 2020-11-10 US disclosed
US-4391980-A FOR INVERSION OF CONFIGURATION OF OPTICALLY ACTIVE COMPOUNDS CIBA-GEIGY CORPORATION (US) 1983-07-05 US disclosed
US-4294966-A SALT FORMATION CIBA-GEIGY CORPORATION (US) 1981-10-13 US disclosed
EP-0007605-A1 A process for inverting the configuration in optically active compounds and optically active intermediate compounds and their salts required therefor CIBA-GEIGY AG (CH) 1980-02-06 EP disclosed
US-4161530-A CYCLIC SUBSTITUTED AMINO ALCOHOL BETA-RECEPTOR-BLOCKING AGENT AND TRYPTOPHANE CIBA-GEIGY CORPORATION (US) 1979-07-17 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 (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-10828281-B2 Non-hydrophobic compounds for use in treating metastasis and/or cartilage defect VIM, MATR3, TP53 MAPT 168/4885ADRB2 4055/4885ADRB1 4181/4885

“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.