SCHEMBL10076421

SCHEMBL10076421

CNC(C)Cc1ccc(N)cc1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.63
SLC18A2 Q05940 1/20 0.63
SIGMAR1 Q99720 1/20 0.63
SLC6A4 P31645 3/20 0.60
ALDH1A1 P00352 1/20 0.48
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ADRB2 P07550 4/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
CYP2D6 P10635 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47

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
SCHEMBL14524005 1.00 TAAR1 (0.63) TAAR1SLC18A2SIGMAR1SLC6A4ALDH1A1
Trifluoroacetamide SCHEMBL9181435 0.83 NPC1 (0.47) TAAR1SLC18A2SIGMAR1SLC6A4ADRB2
SCHEMBL178625 0.80 TAAR1 (0.65) TAAR1SLC18A2SIGMAR1SLC6A4CYP2D6
SCHEMBL10076448 0.80 TAAR1 (0.65) TAAR1SLC18A2SIGMAR1SLC6A4CYP2D6
SCHEMBL765297 0.80 TAAR1 (0.65) TAAR1SLC18A2SIGMAR1SLC6A4CYP2D6
SCHEMBL7182179 0.80 ALDH1A1 (0.50) TAAR1SLC18A2SIGMAR1SLC6A4ALDH1A1
Methamphetamine SCHEMBL28275586 0.79 NPC1 (0.68) TAAR1SLC18A2SIGMAR1NPC1RAB9A
Methamphetamine SCHEMBL28309635 0.79 SIGMAR1 (0.68) TAAR1SLC18A2SIGMAR1SLC6A4ALDH1A1
Hydrochloric Acid SCHEMBL23524368 0.78 TAAR1 (0.63) TAAR1SLC18A2SIGMAR1SLC6A4CYP2D6
SCHEMBL7316113 0.78 TAAR1 (0.63) TAAR1SLC18A2SIGMAR1SLC6A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140155355-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY, INC. 2014-06-05 US disclosed
US-20140155355-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY, INC. 2014-06-05 US disclosed
US-20120015909-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2012-01-19 US disclosed
US-20120015909-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2012-01-19 US disclosed
US-7956220-B2 MAO-B inhibitors useful for treating obesity JENRIN DISCOVERY (US) 2011-06-07 US disclosed
US-7956220-B2 MAO-B inhibitors useful for treating obesity JENRIN DISCOVERY (US) 2011-06-07 US disclosed
WO-2007005845-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2007-01-11 WO disclosed
US-20070004683-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2007-01-04 US disclosed
US-20070004683-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2007-01-04 US disclosed
US-4960797-A Improving mood element, stimulating sexual activity of aged people; free of side effects CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1990-10-02 US disclosed
EP-0186680-B1 PHENYLISOPROPYLAMINE DERIVATIVE AND ITS PREPARATION CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) 1988-03-30 EP 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 (3 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-20120015909-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY MAOB, MAOA, GPR119 TAAR1 195/4885SLC18A2 676/4885SIGMAR1 1095/4885
US-20070004683-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY MAOB, MAOA, GPR119 TAAR1 195/4885SLC18A2 676/4885SIGMAR1 1095/4885
US-20140155355-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY MAOB, MAOA, GPR119 TAAR1 195/4885SLC18A2 676/4885SIGMAR1 1095/4885

“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.