SCHEMBL20969650

SCHEMBL20969650

CCC(C)Oc1ccc(CCN)cc1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.55
MAOB P27338 4/20 0.50
ACACB O00763 2/20 0.47
CYP1A2 P05177 1/20 0.45
CYP2A6 P11509 1/20 0.45
HTR2A P28223 1/20 0.44

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
SCHEMBL28121078 1.00 TAAR1 (0.55) TAAR1MAOBACACBCYP1A2CYP2A6
SCHEMBL28121076 1.00 TAAR1 (0.55) TAAR1MAOBACACBCYP1A2CYP2A6
SCHEMBL27729576 0.86 ACACB (0.50) ACACB
SCHEMBL11338351 0.86 TAAR1 (0.52) TAAR1MAOBACACBCYP1A2CYP2A6
Hydrochloric Acid SCHEMBL6573691 0.85 TAAR1 (0.55) TAAR1MAOBCYP1A2CYP2A6
SCHEMBL22563306 0.85 ST14 (0.45) MAOBACACB
SCHEMBL7521694 0.82 TAAR1 (0.61) TAAR1MAOBCYP1A2CYP2A6
SCHEMBL122883 0.82 ACACB (0.45) ACACB
SCHEMBL20739983 0.81 ACACB (0.47) ACACB
Hydrochloric Acid SCHEMBL14157113 0.81 TAAR1 (0.59) TAAR1MAOBCYP1A2CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104277043-B One-dimensional organic semiconductor nanotube and its preparation method and application INSTITUTE OF CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2017-01-04 CN claimed
CN-104277043-A One-dimensional organic semiconductor nanotube as well as preparation method and application thereof CHINESE ACAD INST CHEMISTRY 2015-01-14 CN claimed
EP-3483149-B1 BENZO[D]THIAZOLE DERIVATIVE OR SALT THEREOF, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME YUHAN CORP (KR) 2021-01-13 EP disclosed
US-10383859-B2 Benzo[d]thiazole derivative or salt thereof, and pharmaceutical composition including same YUHAN CORPORATION (KR) 2019-08-20 US disclosed
US-20190142809-A1 Benzo[D]Thiazole Derivative Or Salt Thereof, And Pharmaceutical Composition Including Same YUHAN CORPORATION (KR) 2019-05-16 US disclosed
EP-3483149-A1 BENZO[D]THIAZOLE DERIVATIVE OR SALT THEREOF, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME Yuhan Corporation (KR) 2019-05-15 EP disclosed
CN-104277043-B One-dimensional organic semiconductor nanotube and its preparation method and application INSTITUTE OF CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2017-01-04 CN disclosed
CN-104277043-A One-dimensional organic semiconductor nanotube as well as preparation method and application thereof CHINESE ACAD INST CHEMISTRY 2015-01-14 CN 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-20190142809-A1 Benzo[D]Thiazole Derivative Or Salt Thereof, And Pharmaceutical Composition Including Same ILK, SBDS, BDKRB1 TAAR1 3745/4885MAOB 4772/4885ACACB 3776/4885
US-10383859-B2 Benzo[d]thiazole derivative or salt thereof, and pharmaceutical composition including same ILK, SBDS, BDKRB1 TAAR1 3745/4885MAOB 4772/4885ACACB 3776/4885

“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.