SCHEMBL4808998

SCHEMBL4808998

CC(C)c1cccc2c(CCO)c[nH]c12

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 3/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ MAPT P10636 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ SOS2 Q07890 1/20 0.43
▸ MPO P05164 5/20 0.43
▸ SLC6A4 P31645 4/20 0.43
▸ HTT P42858 1/20 0.43
▸ GABRA1 P14867 1/20 0.41
▸ GABRG2 P18507 1/20 0.41
▸ GABRB3 P28472 1/20 0.41
▸ HTR6 P50406 1/20 0.40
▸ HTR2C P28335 1/20 0.40

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
SCHEMBL23656514 0.82 HTT (0.54) SMN1; SMN2MAPTMPOHTT
SCHEMBL19007004 0.82 SOS2 (0.46) HTR2ASMN1; SMN2MAPTNPSR1SOS2
SCHEMBL4803628 0.79 HTR2A (0.71) HTR2ASMN1; SMN2MAPTNPSR1SOS2
SCHEMBL10252339 0.78 MPO (0.49) HTR2ASMN1; SMN2MAPTNPSR1MPO
SCHEMBL5477550 0.78 MPO (0.49) HTR2ASMN1; SMN2MAPTNPSR1MPO
SCHEMBL4803022 0.78 HTT (0.55) HTR2ASMN1; SMN2MAPTNPSR1MPO
SCHEMBL9157617 0.77 DAO (0.40) NPSR1GABRA1GABRG2GABRB3
SCHEMBL4797230 0.76 GABRA1 (0.40) HTR2ASLC6A4GABRA1HTR2C
SCHEMBL11539380 0.76 HTR2A (0.54) HTR2ASMN1; SMN2MAPTNPSR1MPO
SCHEMBL18999655 0.76 PARP14 (0.50) HTR2ASOS2GABRA1GABRG2GABRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7446122-B2 Substituted indole derivatives CEPHALON, INC. (US) 2008-11-04 — — US disclosed
US-7314886-B2 Tetrahydropyrano-indole derivatives CEPHALON, INC. (US) 2008-01-01 — — US disclosed
US-20070244180-A1 Substituted indole derivatives SALMEDIX, INC. 2007-10-18 — — US disclosed
US-20060166947-A1 Multiple myeloma treatments DANA-FARBER CANCER INSTITUTE, INC. 2006-07-27 — — US disclosed
US-20060160876-A1 (6-Bromo-1,8-diethyl-1,3,4,9-tetrahydro-pyrano[3,4-b]indol-1-yl)-acetic acid ethyl ester; antineoplastic, anti-inflammatory, analgesic SALMEDIX, INC. 2006-07-20 — — US disclosed
EP-1680428-A2 SUBSTITUTED INDOLE DERIVATIVES CEPHALON, INC. (US) 2006-07-19 — — EP disclosed
EP-1673373-A2 INDOLE DERIVATIVES Salmedix, Inc. (US) 2006-06-28 — — EP disclosed
WO-2005033112-A2 SUBSTITUTED INDOLE DERIVATIVES CEPHALON, INC. (US) 2005-04-14 — — WO disclosed
WO-2005033113-A2 INDOLE DERIVATIVES CEPHALON, INC (US) 2005-04-14 — — 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 (3 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-20070244180-A1 Substituted indole derivatives IDO1, IDO2, HTR3A HTR2A 12/4885SMN1; SMN2 4397/4885MAPT 639/4885
US-20060160876-A1 (6-Bromo-1,8-diethyl-1,3,4,9-tetrahydro-pyrano[3,4-b]indol-1-yl)-acetic acid ethyl ester; antineoplastic, anti-inflammatory, analgesic IL6, OPRK1, PTGES3 HTR2A 360/4885SMN1; SMN2 3333/4885MAPT 2112/4885
US-20060166947-A1 Multiple myeloma treatments BCL6, MCL1, BCL6B HTR2A 2275/4885SMN1; SMN2 2921/4885MAPT 4155/4885

“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