SCHEMBL4334349

SCHEMBL4334349

Oc1cccc2c1ccn2CC1CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.53
HTR2A P28223 1/20 0.46
HTR6 P50406 5/20 0.42
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41
TUBB8 Q3ZCM7 1/20 0.41
TUBA3E Q6PEY2 1/20 0.41
TUBA1A Q71U36 1/20 0.41
TUBA1C Q9BQE3 1/20 0.41
TUBB6 Q9BUF5 1/20 0.41
TUBB2B Q9BVA1 1/20 0.41
TUBB1 Q9H4B7 1/20 0.41
HTR1A P08908 1/20 0.38
CNR1 P21554 5/20 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
SCHEMBL4334602 0.81 HTR2C (0.50) HTR2CHTR2AHTR6CNR1CNR2
SCHEMBL29967860 0.80 GRM2 (0.48) HTR6TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL23648121 0.80 GRM2 (0.48) HTR6TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL31694729 0.80 TUBB4A (0.41) HTR2CHTR2AHTR6TUBB4ATUBB
SCHEMBL19117682 0.78 CNR1 (0.48) HTR2CHTR2ACNR1CNR2
SCHEMBL4321418 0.77 HTR2C (0.60) HTR2CHTR2AHTR6
SCHEMBL29751560 0.75 HTR2C (0.63) HTR2CHTR2AHTR6
SCHEMBL4323537 0.75 HTR2C (0.63) HTR2CHTR2AHTR6
SCHEMBL3142772 0.75 CNR1 (0.48) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3139209 0.74 NR4A2 (0.49) CNR1CNR2ACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7528164-B2 Substituted 4-aryl-4h-pyrrolo[2,3-h]chromenes and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2009-05-05 US disclosed
CN-100349887-C Substituted 4-aryl-4H-pyrrolo [2, 3-H ] chromenes and analogs, pharmaceutical compositions and uses thereof CYTOVIA INC (US) 2007-11-21 CN disclosed
EP-1509515-A4 SUBSTITUTED 4-ARYL-4H-PYRROLO 2,3-H CHROMENES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA INC (US) 2006-07-05 EP disclosed
US-20060104998-A1 Substituted 4-aryl-4h-pyrrolo[2,3-h]chromenes and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2006-05-18 US disclosed
CN-1668609-A Substituted 4-aryl-4H-pyrrolo[2,3-H]chromenes and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA INC (US) 2005-09-14 CN disclosed
EP-1509515-A2 SUBSTITUTED 4-ARYL-4H-PYRROLO 2,3-H CHROMENES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF Cytovia, Inc. (US) 2005-03-02 EP disclosed
WO-2003097806-A2 SUBSTITUTED 4-ARYL-4H-PYRROLO[2,3-H]CHROMENES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2003-11-27 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-20060104998-A1 Substituted 4-aryl-4h-pyrrolo[2,3-h]chromenes and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP3, CASP4, CASP2 HTR2C 2142/4885HTR2A 1819/4885HTR6 1981/4885

“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.