SCHEMBL2087680

SCHEMBL2087680

C=C1Nc2ccccc2C1N1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HTR5A P47898 3/20 0.33
▸ CHRNA7 P36544 1/20 0.33
▸ LRRK2 Q5S007 1/20 0.33
▸ OPRL1 P41146 2/20 0.33
▸ ACHE P22303 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32

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
SCHEMBL4418074 0.79 TSHR (0.50) TSHRKDM4EMAPTHTR5ALRRK2
SCHEMBL16876680 0.67 ALDH1A1 (0.44) TSHRKDM4EMAPTALDH1A1
SCHEMBL29167137 0.66 HTR5A (0.39) TSHRHTR5AALDH1A1
SCHEMBL1879473 0.66 HTR5A (0.43) HTR5AALDH1A1
SCHEMBL11391883 0.66 CYP1A2 (0.57) TSHRMAPTALDH1A1
SCHEMBL27607923 0.66 TSHR (0.50) TSHRKDM4EMAPTHTR5ALRRK2
SCHEMBL8931368 0.66 HTR5A (0.36) MAPTHTR5AALDH1A1
SCHEMBL3665829 0.64 TSHR (0.57) TSHRCHRNA7ALDH1A1
SCHEMBL8063246 0.63 TSHR (0.59) TSHRCHRNA7ALDH1A1
SCHEMBL8119431 0.63 HTR5A (0.34) KDM4EMAPTHTR5AALDH1A1

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-7897788-B2 Indol-1-yl-acetic acid derivatives ACTELION PHARMACEUTICAL LTD. (CH) 2011-03-01 — — US disclosed
EP-1740171-B1 INDOL-1-YL-ACETIC ACID DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-06-09 — — EP disclosed
US-20070208004-A1 Indol-1-yl-acetic acid derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2007-09-06 — — US disclosed
EP-1740171-A1 INDOL-1-YL-ACETIC ACID DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2007-01-10 — — EP disclosed
WO-2005094816-A1 INDOL-1-YL-ACETIC ACID DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2005-10-13 — — 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-20070208004-A1 Indol-1-yl-acetic acid derivatives IDO1, IDO2, AANAT TSHR 3401/4885KDM4E 1271/4885USP2 2442/4885

“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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