SCHEMBL13376478

SCHEMBL13376478

NCCc1[nH]cc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 6/20 0.47
▸ TAAR1 Q96RJ0 3/20 0.47
▸ MPO P05164 2/20 0.47
▸ CYP2A6 P11509 2/20 0.47
▸ HTR1B P28222 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ HTR1D P28221 1/20 0.47
▸ HTR2C P28335 1/20 0.47
▸ HTR7 P34969 1/20 0.47
▸ CTSK P43235 1/20 0.47
▸ HTR6 P50406 1/20 0.47
▸ CYP2A13 Q16696 1/20 0.47
▸ PMP22 Q01453 1/20 0.46
▸ METAP1 P53582 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ MAPT P10636 1/20 0.38

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
SCHEMBL3430076 0.80 METAP1 (0.40) HTR2ATAAR1MPOCYP2A6HTR1B
SCHEMBL3028098 0.80 METAP1 (0.40) HTR2ATAAR1MPOCYP2A6HTR1B
SCHEMBL28501579 0.79 TDP1 (0.40) HTR2ACYP2A6CYP1A2CYP3A4HTR2C
SCHEMBL2660501 0.77 MPO (0.46) MPOMETAP1SLC6A4MAPTALDH1A1
SCHEMBL3875462 0.75 GPR84 (0.36) HTR2ACYP2A6CYP1A2CYP3A4HTR2C
SCHEMBL292913 0.75 METAP1 (0.36) HTR2ACYP2A6CYP3A4METAP1SMN1; SMN2
SCHEMBL13977730 0.75 METAP1 (0.36) CYP2A6CYP1A2CYP3A4CYP2D6METAP1
SCHEMBL13978037 0.75 METAP1 (0.36) HTR2ACYP2A6CYP1A2CYP3A4METAP1
SCHEMBL28206462 0.74 TDP1 (0.36) HTR2ATAAR1MPOPMP22SMN1; SMN2
SCHEMBL28691266 0.72 KMT2A (0.47) TAAR1METAP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304543-B2 Blocking agents for organoborane compounds DOW GLOBAL TECHNOLOGIES LLC (US) 2012-11-06 — — US disclosed
US-8304543-B2 Blocking agents for organoborane compounds DOW GLOBAL TECHNOLOGIES LLC (US) 2012-11-06 — — US disclosed
US-20100105910-A1 BLOCKING AGENTS FOR ORGANOBORANE COMPOUNDS DOW GLOBAL TECHNOLOGIES INC. (US) 2010-04-29 — — US disclosed
US-20100105910-A1 BLOCKING AGENTS FOR ORGANOBORANE COMPOUNDS DOW GLOBAL TECHNOLOGIES INC. (US) 2010-04-29 — — US disclosed
WO-2010048323-A1 BLOCKING AGENTS FOR ORGANOBORANE COMPOUND DOW GLOBAL TECHNOLOGIES INC. (US) 2010-04-29 — — 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 (1 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-20100105910-A1 BLOCKING AGENTS FOR ORGANOBORANE COMPOUNDS NMBR, TBCB, GABBR1 HTR2A 2875/4885TAAR1 276/4885MPO 1890/4885

“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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