SCHEMBL1068274

SCHEMBL1068274

CCCCC(=O)NCCc1c[nH]c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 2/20 1.00
▸ MEN1 O00255 3/20 0.83
▸ KMT2A Q03164 3/20 0.83
▸ AANAT Q16613 1/20 0.68
▸ CYP1A2 P05177 2/20 0.67
▸ CYP2C19 P33261 2/20 0.67
▸ LMNA P02545 1/20 0.67
▸ PKM P14618 1/20 0.67
▸ TSHR P16473 1/20 0.67
▸ BLM P54132 1/20 0.67
▸ TRPV1 Q8NER1 2/20 0.66
▸ GFER P55789 1/20 0.63
▸ ALDH1A1 P00352 2/20 0.62
▸ MMP9 P14780 1/20 0.61
▸ NPC1 O15118 1/20 0.61
▸ RAB9A P51151 1/20 0.61
▸ CYP2D6 P10635 1/20 0.61
▸ HPGD P15428 1/20 0.61
▸ RECQL P46063 1/20 0.61
▸ MAPT P10636 1/20 0.61

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
SCHEMBL29926356 0.96 MTNR1A (0.98) MTNR1AMEN1KMT2AAANATCYP1A2
SCHEMBL3806536 0.95 MTNR1A (1.00) MTNR1AMEN1KMT2AAANATCYP1A2
SCHEMBL1724741 0.95 MTNR1A (1.00) MTNR1AMEN1KMT2AAANATCYP1A2
SCHEMBL1727281 0.95 MTNR1A (1.00) MTNR1AMEN1KMT2AAANATCYP1A2
SCHEMBL1726070 0.95 MTNR1A (1.00) MTNR1AMEN1KMT2AAANATCYP1A2
SCHEMBL1725354 0.95 MTNR1A (1.00) MTNR1AMEN1KMT2AAANATCYP1A2
SCHEMBL1726502 0.95 MTNR1A (1.00) MTNR1AMEN1KMT2AAANATCYP1A2
SCHEMBL1066221 0.95 MTNR1A (1.00) MTNR1AMEN1KMT2AAANATCYP1A2
SCHEMBL22411433 0.95 MTNR1A (1.00) MTNR1AMEN1KMT2AAANATCYP1A2
SCHEMBL1063483 0.95 MTNR1A (1.00) MTNR1AMEN1KMT2AAANATCYP1A2

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
CN-102906159-A Amine polymers as bile acid sequestrants RELYPSA INC 2013-01-30 — — CN claimed
CN-102858817-A Crosslinked polyvinylamines, polyallylamines and ethyleneimines for use as bile acid sequestrants RELYPSA INC 2013-01-02 — — CN claimed
CN-102906159-A Amine polymers as bile acid sequestrants RELYPSA INC 2013-01-30 — — CN disclosed
CN-102858817-A Crosslinked polyvinylamines, polyallylamines and ethyleneimines for use as bile acid sequestrants RELYPSA INC 2013-01-02 — — CN disclosed
US-7872040-B2 Receptor blocker and vasodilator comprising indole derivative as active ingredient SOMEI MASANORI 2011-01-18 — — US disclosed
US-20090005430-A1 Receptor Blocker and Vasodilator Comprising Indole Derivative as Active Ingredient NATIONAL UNIVERSITY CORPORATION KANAZAWA UNIVERSITY (JP) 2009-01-01 — — US disclosed
US-4456607-A 9-Bromo-hexahydro- and octahydro-indolo[2,3 a]quinolizines and use for increasing blood circulation RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1984-06-26 — — US disclosed
US-4428877-A VASODILATORS RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1984-01-31 — — US disclosed
US-4315011-A VASODILATORS RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1982-02-09 — — US disclosed
US-4228168-A ANTI-ANOXIC ACTIVITY TANABE SEIYAKU CO., LTD. (JP) 1980-10-14 — — 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 (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-20090005430-A1 Receptor Blocker and Vasodilator Comprising Indole Derivative as Active Ingredient ADRB2, ADRB1, ADRA2B MTNR1A 261/4885MEN1 3707/4885KMT2A 1542/4885

“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