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
SCHEMBL7972279 0.88 SMN1; SMN2 (0.66) AANATMEN1KMT2ALMNAPKM
SCHEMBL1849735 0.88 LMNA (0.65) AANATMEN1KMT2ALMNACYP1A2
SCHEMBL7677886 0.88 MEN1 (0.84) AANATMEN1KMT2ALMNACYP1A2
SCHEMBL5903804 0.88 AANAT (0.77) AANATMEN1KMT2ALMNACYP1A2
SCHEMBL6424904 0.87 AANAT (0.75) 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.

Send feedback