SCHEMBL921555

SCHEMBL921555

NCCCCc1cccs1

nearest known ligand 0.79

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.79
TSHR P16473 2/20 0.56
MAOB P27338 1/20 0.51
ADRA2A P08913 3/20 0.48
ADRA2B P18089 3/20 0.48
ADRA2C P18825 3/20 0.48
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAOA P21397 1/20 0.45
NPC1 O15118 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
SCHEMBL7261878 0.98 TAAR1 (0.76) TAAR1TSHRMAOBADRA2AADRA2B
SCHEMBL8099228 0.98 TAAR1 (0.76) TAAR1TSHRMAOBADRA2AADRA2B
SCHEMBL921170 0.98 TAAR1 (0.76) TAAR1TSHRMAOBADRA2AADRA2B
SCHEMBL5346543 0.98 TAAR1 (0.76) TAAR1TSHRMAOBADRA2AADRA2B
SCHEMBL8091263 0.98 TAAR1 (0.76) TAAR1TSHRMAOBADRA2AADRA2B
Hydrochloric Acid SCHEMBL17260635 0.98 TAAR1 (0.76) TAAR1TSHRMAOBADRA2AADRA2B
SCHEMBL8107486 0.98 TAAR1 (0.76) TAAR1TSHRMAOBADRA2AADRA2B
SCHEMBL8099646 0.98 TAAR1 (0.76) TAAR1TSHRMAOBADRA2AADRA2B
SCHEMBL8099155 0.98 TAAR1 (0.76) TAAR1TSHRMAOBADRA2AADRA2B
Hydrochloric Acid SCHEMBL1222581 0.96 TAAR1 (0.73) TAAR1TSHRMAOBADRA2AADRA2B

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 65 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 CN claimed
US-20140193837-A1 LUMINESCENT NANOPARTICLE COMPOSITIONS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-07-10 US claimed
WO-2012174287-A1 LUMINESCENT NANOPARTICLE COMPOSITIONS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-12-20 WO claimed
US-5614614-A ANTIBIOTICS, CHEMICAL INTERMEDIATES ROUSSEL UCLAF (FR) 1997-03-25 US claimed
EP-0596802-B1 Erythromycin derivatives, their process of preparation and their application as medicaments ROUSSEL UCLAF (FR) 1996-03-20 EP claimed
CN-1090581-A The preparation method of the novel derivative of erythromycin and they and as the application of medicine ROUSSEL UCLAF (FR) 1994-08-10 CN claimed
EP-0596802-A1 Erythromycin derivatives, their process of preparation and their application as medicaments ROUSSEL UCLAF (FR) 1994-05-11 EP claimed
US-11072687-B2 pH sensitive quantum dots for use as cure indicators THE BOEING COMPANY (US) 2021-07-27 US disclosed
US-10953110-B2 Dual emissive metal nanoparticles as ratiometric pH indicators BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-03-23 US disclosed
US-10647747-B2 Cyclosporin derivatives and uses thereof S&T GLOBAL INC. (US) 2020-05-12 US disclosed
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 CN disclosed
CN-106687450-B A kind of indoles amine -2,3- dioxygenase inhibitor and preparation method thereof 中国科学院上海有机化学研究所 2019-08-16 CN disclosed
US-20190153165-A1 pH SENSITIVE QUANTUM DOTS FOR USE AS CURE INDICATORS THE BOEING COMPANY (US) 2019-05-23 US disclosed
US-5527780-A BACTERICIDES ROUSSEL UCLAF (FR) 1996-06-18 US disclosed
EP-0596802-B1 Erythromycin derivatives, their process of preparation and their application as medicaments ROUSSEL UCLAF (FR) 1996-03-20 EP disclosed
WO-1995015978-A1 PRETARGETING METHODS AND COMPOUNDS NEORX CORPORATION (US) 1995-06-15 WO disclosed
CN-1090581-A The preparation method of the novel derivative of erythromycin and they and as the application of medicine ROUSSEL UCLAF (FR) 1994-08-10 CN disclosed
EP-0596802-A1 Erythromycin derivatives, their process of preparation and their application as medicaments ROUSSEL UCLAF (FR) 1994-05-11 EP disclosed
CN-1057654-A Bisphosphonic acid derivatives and preparation thereof and application TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1992-01-08 CN disclosed
US-4242474-A A POLYHYDROXY ACRYLIC ESTER REACTED WITH AN ISOCYANATE TERMINATED POLYOXYALKYLENE GLYCOL; BIOPOLYMERS TERUMO CORPORATION (JP) 1980-12-30 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-10953110-B2 Dual emissive metal nanoparticles as ratiometric pH indicators CD63, MYADM, CA2 TAAR1 2185/4885TSHR 1753/4885MAOB 2990/4885
US-10647747-B2 Cyclosporin derivatives and uses thereof FKBP5, FKBP1B, MALT1 TAAR1 3892/4885TSHR 4095/4885MAOB 1170/4885

“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.