SCHEMBL9469337

SCHEMBL9469337

Cc1ccc(C)c(CCCN)c1

nearest known ligand 0.77

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.77
POLB P06746 2/20 0.43
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2A6 P11509 1/20 0.40
HTR2A P28223 2/20 0.40
HTR1D P28221 1/20 0.40
TACR1 P25103 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KIF11 P52732 1/20 0.35
KCNH2 Q12809 1/20 0.35
KAT2B Q92831 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
GAA P10253 1/20 0.35

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
Hydrochloric Acid SCHEMBL21248269 0.98 TAAR1 (0.74) TAAR1POLBALDH1A1TDP1CYP1A2
SCHEMBL14154 0.94 TAAR1 (0.74) TAAR1POLBALDH1A1TDP1CYP1A2
SCHEMBL10110932 0.92 TAAR1 (0.71) TAAR1POLBALDH1A1TDP1CYP1A2
SCHEMBL1869457 0.87 TAAR1 (1.00) TAAR1POLBALDH1A1TDP1CYP1A2
SCHEMBL3903774 0.83 TAAR1 (0.53) TAAR1ALDH1A1TDP1CYP1A2CYP2A6
SCHEMBL9491792 0.82 TAAR1 (0.74) TAAR1POLBALDH1A1TDP1CYP1A2
SCHEMBL630179 0.81 TAAR1 (0.61) TAAR1POLBALDH1A1TDP1CYP3A4
SCHEMBL12525643 0.80 TAAR1 (0.50) TAAR1ALDH1A1TDP1CYP1A2HTR2A
SCHEMBL3314163 0.80 TAAR1 (0.60) TAAR1POLBALDH1A1TDP1TACR1
SCHEMBL38650825 0.79 TAAR1 (0.59) TAAR1POLBALDH1A1TDP1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150252056-A1 BICYCLIC OXA-LACTAM KINASE INHIBITORS ALEXION PHARMACEUTICALS, INC. 2015-09-10 US disclosed
US-20140113931-A1 SUBSTITUTED PICOLINAMIDE KINASE INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2014-04-24 US disclosed
US-5225455-A Hardeners and Bisphenol F resins STONHARD, INC. (US) 1993-07-06 US disclosed
EP-0438498-A4 BISPHENOL FORMALDEHYDE EPOXY-BASED FLOORING AND COATING MATERIALS 1992-05-13 EP disclosed
EP-0438498-A1 BISPHENOL FORMALDEHYDE EPOXY-BASED FLOORING AND COATING MATERIALS STONHARD INC (US) 1991-07-31 EP disclosed
US-4980400-A IMPACT, CHEMICAL, AND WEAR RESISTANCE STONHARD (US) 1990-12-25 US disclosed
WO-1990004000-A1 BISPHENOL FORMALDEHYDE EPOXY-BASED FLOORING AND COATING MATERIALS STONHARD, INC. (US) 1990-04-19 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 (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-20150252056-A1 BICYCLIC OXA-LACTAM KINASE INHIBITORS SYK, BTK, JAK2 TAAR1 4613/4885POLB 1893/4885ALDH1A1 4320/4885
US-20140113931-A1 SUBSTITUTED PICOLINAMIDE KINASE INHIBITORS SYK, LCK, BTK TAAR1 3103/4885POLB 2837/4885ALDH1A1 4736/4885

“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.