SCHEMBL905954

SCHEMBL905954

c1ccc(COc2cccc(COc3nccc(N4CCNCC4)n3)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.51
ALOX12 P18054 1/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
PRMT5 O14744 5/20 0.50
NTRK1 P04629 1/20 0.50
SLC6A2 P23975 4/20 0.48
SLC6A3 Q01959 4/20 0.48
HTR2C P28335 3/20 0.46
HTR2A P28223 2/20 0.46
HTR2B P41595 2/20 0.46
HTR1A P08908 3/20 0.45
SLC6A4 P31645 2/20 0.45
CHRM4 P08173 1/20 0.45
ADRB1 P08588 1/20 0.45
CHRM5 P08912 1/20 0.45

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
SCHEMBL5585318 0.92 HTR2A (0.45) KDM4EALDH1A1LMNAHPGDTSHR
SCHEMBL906132 0.91 HTR1A (0.53) KDM4EALDH1A1HTTPRMT5NTRK1
SCHEMBL906199 0.90 HTR6 (0.51) KDM4EALDH1A1TSHRPRMT5SLC6A2
SCHEMBL5585311 0.86 PIM1 (0.52) PRMT5HTR2CHTR2AHTR2BHTR1A
SCHEMBL5585635 0.85 HTR3A (0.48) KDM4EALDH1A1HTTPRMT5SLC6A2
SCHEMBL906110 0.84 PRMT5 (0.56) PRMT5SLC6A2HTR2CHTR2AHTR2B
SCHEMBL906027 0.84 HTR2C (0.64) HTR2CHTR2AHTR2BHTR1ACHRM4
SCHEMBL5585277 0.81 ADRB1 (0.54) ALDH1A1PRMT5HTR2CHTR2AHTR2B
SCHEMBL3267229 0.79 HTR2C (0.73) KDM4EALDH1A1LMNAHPGDTSHR
SCHEMBL3266698 0.78 HRH3 (0.54) KDM4EALDH1A1HTTSLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7247633-B2 Pyrimidine compounds and their use BIOVITRUM AB (SE) 2007-07-24 US claimed
US-20040014767-A1 Novel compounds and their use BIOVITRUM AB, A SWEDISH CORPORATION 2004-01-22 US claimed
EP-1335907-A1 PIPERAZINYLPYRAZINE COMPOUNDS AS AGONIST OR ANTAGONIST OF SEROTONIN 5HT-2 RECEPTOR BIOVITRUM AB (SE) 2003-08-20 EP claimed
US-20020147200-A1 Novel compounds and their use PROXIMAGEN NEUROSCIENCE PLC (GB) 2002-10-10 US claimed
WO-2002040456-A1 PIPERAZINYLPYRAZINE COMPOUNDS AS AGONIST OR ANTAGONIST OF SEROTONIN 5HT-2 RECEPTOR BIOVITRUM AB (SE) 2002-05-23 WO claimed
US-20110152272-A1 Treatment Of Incontinence PFIZER INC 2011-06-23 US disclosed
EP-2277513-A2 Treatment of incontinence with 5htc2 agonists Pfizer Inc. (US) 2011-01-26 EP disclosed
US-20080146583-A1 Treatment of Incontinence PFIZER INC 2008-06-19 US disclosed
US-7247633-B2 Pyrimidine compounds and their use BIOVITRUM AB (SE) 2007-07-24 US disclosed
EP-1620081-A2 TREATMENT OF INCONTINENCE WITH 5HTC2 AGONISTS Pfizer Limited (GB) 2006-02-01 EP disclosed
US-20040235856-A1 Treatment of incontinence PFIZER INC 2004-11-25 US disclosed
WO-2004096196-A2 TREATMENT OF INCONTINENCE WITH 5HTC2 AGONISTS PFIZER LIMITED (GB) 2004-11-11 WO disclosed
US-20040014767-A1 Novel compounds and their use BIOVITRUM AB, A SWEDISH CORPORATION 2004-01-22 US disclosed
EP-1335907-A1 PIPERAZINYLPYRAZINE COMPOUNDS AS AGONIST OR ANTAGONIST OF SEROTONIN 5HT-2 RECEPTOR BIOVITRUM AB (SE) 2003-08-20 EP disclosed
US-6593330-B2 Central nervous system disorders; antiserotonine agents BIOVITRUM (SE) 2003-07-15 US disclosed
US-20020147200-A1 Novel compounds and their use PROXIMAGEN NEUROSCIENCE PLC (GB) 2002-10-10 US disclosed
WO-2002040456-A1 PIPERAZINYLPYRAZINE COMPOUNDS AS AGONIST OR ANTAGONIST OF SEROTONIN 5HT-2 RECEPTOR BIOVITRUM AB (SE) 2002-05-23 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 (5 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-20040235856-A1 Treatment of incontinence HTR2C, HTR5A, ADRA2C KDM4E 2684/4885ALDH1A1 527/4885LMNA 1466/4885
US-20110152272-A1 Treatment Of Incontinence HTR2C, HTR5A, ADRA2C KDM4E 2684/4885ALDH1A1 527/4885LMNA 1466/4885
US-20080146583-A1 Treatment of Incontinence HTR2C, HTR5A, ADRA2C KDM4E 2684/4885ALDH1A1 527/4885LMNA 1466/4885
US-20020147200-A1 Novel compounds and their use BRIX1, UGT1A1, NR5A1 KDM4E 1971/4885ALDH1A1 288/4885LMNA 3306/4885
US-20040014767-A1 Novel compounds and their use BRIX1, UGT1A1, NR5A1 KDM4E 1971/4885ALDH1A1 288/4885LMNA 3306/4885

“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.