SCHEMBL16652723

SCHEMBL16652723

Oc1nc(N2CCNCC2)ncc1Cc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 1/20 0.64
▸ ACHE P22303 2/20 0.49
▸ ALDH1A1 P00352 9/20 0.48
▸ CYP1A2 P05177 9/20 0.48
▸ CYP3A4 P08684 9/20 0.48
▸ HSD17B10 Q99714 9/20 0.48
▸ CYP2C9 P11712 7/20 0.48
▸ CASP1 P29466 6/20 0.48
▸ HPGD P15428 6/20 0.48
▸ CYP2D6 P10635 5/20 0.48
▸ CASP7 P55210 5/20 0.48
▸ CETP P11597 1/20 0.47
▸ USP2 O75604 8/20 0.47
▸ CYP2C19 P33261 6/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ HIF1A Q16665 2/20 0.47
▸ HTR6 P50406 2/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ MAPK1 P28482 3/20 0.46

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
SCHEMBL16662343 0.86 TAAR1 (0.46) TAAR1ACHEALDH1A1CASP1HPGD
SCHEMBL16652332 0.84 TAAR1 (0.64) TAAR1ACHEALDH1A1CYP1A2CYP3A4
SCHEMBL712846 0.79 TAAR1 (1.00) TAAR1ACHEALDH1A1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL16651432 0.77 TAAR1 (0.97) TAAR1ACHEALDH1A1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL16651431 0.76 TAAR1 (0.94) TAAR1ACHEALDH1A1CYP1A2CYP3A4
SCHEMBL18583898 0.76 TAAR1 (0.53) TAAR1ACHEALDH1A1CYP1A2CYP3A4
SCHEMBL16651683 0.75 ACHE (0.60) ACHE
SCHEMBL28839913 0.74 TAAR1 (0.53) TAAR1HTR6
SCHEMBL16653731 0.73 TAAR1 (0.77) TAAR1ACHEALDH1A1CYP1A2CYP3A4
SCHEMBL6164646 0.72 HTR1A (0.60) TAAR1HTR6HTR1ASLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9884861-B2 Compositions useful for treating disorders related to kit BLUEPRINT MEDICINES CORPORATION (US) 2018-02-06 — — US disclosed
US-9884861-B2 Compositions useful for treating disorders related to kit BLUEPRINT MEDICINES CORPORATION (US) 2018-02-06 — — US disclosed
US-20170057953-A1 COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO KIT BLUEPRINT MEDICINES CORPORATION 2017-03-02 — — US disclosed
US-20170057953-A1 COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO KIT BLUEPRINT MEDICINES CORPORATION 2017-03-02 — — US disclosed
US-9334263-B2 Compositions useful for treating disorders related to kit BLUEPRINT MEDICINES CORPORATION (US) 2016-05-10 — — US disclosed
US-9334263-B2 Compositions useful for treating disorders related to kit BLUEPRINT MEDICINES CORPORATION (US) 2016-05-10 — — US disclosed
WO-2015058129-A1 COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO KIT BLUEPRINT MEDICINES CORPORATION (US) 2015-04-23 — — WO disclosed
US-20150111857-A1 COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO KIT BLUEPRINT MEDICINES CORPORATION (US) 2015-04-23 — — US disclosed
WO-2015058129-A1 COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO KIT BLUEPRINT MEDICINES CORPORATION (US) 2015-04-23 — — WO disclosed
US-20150111857-A1 COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO KIT BLUEPRINT MEDICINES CORPORATION (US) 2015-04-23 — — 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-20170057953-A1 COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO KIT KIT, PRKACA, CKMT1A; CKMT1B TAAR1 3443/4885ACHE 3557/4885ALDH1A1 1315/4885
US-20150111857-A1 COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO KIT KIT, PRKACA, CKMT1A; CKMT1B TAAR1 3443/4885ACHE 3557/4885ALDH1A1 1315/4885

“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.

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