SCHEMBL10069200

SCHEMBL10069200

O=C(Cc1c[nH]c2ccccc12)NCCc1c[nH]c2ccccc12

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AANAT Q16613 1/20 0.77
MEN1 O00255 5/20 0.75
KMT2A Q03164 5/20 0.75
LMNA P02545 1/20 0.72
CYP1A2 P05177 1/20 0.72
PKM P14618 1/20 0.72
TSHR P16473 1/20 0.72
CYP2C19 P33261 1/20 0.72
BLM P54132 1/20 0.72
MTNR1A P48039 2/20 0.70
ALDH1A1 P00352 1/20 0.70
MMP9 P14780 1/20 0.68
NPC1 O15118 1/20 0.68
RAB9A P51151 1/20 0.68
HSD17B2 P37059 1/20 0.68
SIRT1 Q96EB6 1/20 0.65

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
SCHEMBL7976825 0.92 SMN1; SMN2 (0.71) AANATMEN1KMT2ALMNACYP1A2
SCHEMBL27334858 0.90 ALDH1A1 (0.76) AANATMEN1KMT2ALMNACYP1A2
SCHEMBL9118459 0.90 AANAT (0.71) AANATMEN1KMT2ALMNACYP1A2
SCHEMBL807557 0.90 TRPV1 (0.70) AANATMEN1KMT2ACYP1A2BLM
SCHEMBL15150100 0.89 MTNR1A (0.68) AANATMEN1KMT2ALMNACYP1A2
SCHEMBL1849735 0.88 LMNA (0.65) AANATMEN1KMT2ALMNACYP1A2
SCHEMBL7972279 0.88 SMN1; SMN2 (0.66) AANATMEN1KMT2ALMNAPKM
SCHEMBL7677886 0.88 MEN1 (0.84) AANATMEN1KMT2ALMNACYP1A2
SCHEMBL5903804 0.88 AANAT (0.77) AANATMEN1KMT2ALMNACYP1A2
SCHEMBL7972207 0.87 LMNA (0.67) AANATMEN1KMT2ALMNACYP1A2

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-8901317-B2 Tryptamine derivatives, their preparation and their use in gastropathy COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-12-02 US disclosed
US-8901317-B2 Tryptamine derivatives, their preparation and their use in gastropathy COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-12-02 US disclosed
US-20130197052-A1 TRYPTAMINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN GASTROPATHY UNIVERSITY OF CALCUTTA (IN) 2013-08-01 US disclosed
US-20130197052-A1 TRYPTAMINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN GASTROPATHY UNIVERSITY OF CALCUTTA (IN) 2013-08-01 US disclosed
WO-2012035406-A1 TRYPTAMINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN GASTROPATHY COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2012-03-22 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-20130197052-A1 TRYPTAMINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN GASTROPATHY HTRA2, AIFM1, SI AANAT 304/4885MEN1 3990/4885KMT2A 3725/4885

“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.