SCHEMBL16019529

SCHEMBL16019529

CC(C)c1cc(N2CCNCC2)cc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 3/20 0.58
HTR3B O95264 3/20 0.58
HTR3A P46098 3/20 0.58
HTR3D Q70Z44 3/20 0.58
HTR3C Q8WXA8 3/20 0.58
SIGMAR1 Q99720 3/20 0.58
HTR5A P47898 2/20 0.58
HTR6 P50406 4/20 0.47
SOS1 Q07889 1/20 0.47
HTR1A P08908 3/20 0.46
NCF1 P14598 3/20 0.46
HTR1D P28221 2/20 0.46
HTR1B P28222 2/20 0.46
HTR7 P34969 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
HTR2A P28223 1/20 0.46
MTOR P42345 1/20 0.46

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
SCHEMBL16019501 0.84 HTR3E (0.60) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL16019522 0.82 LMNA (0.46) NCF1CYP1A2HSD17B10KDM4EALDH1A1
SCHEMBL18949726 0.80 HTR3E (0.58) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL16019497 0.74 NCF1 (0.68) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL30870394 0.74 HTR3A (1.00) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL3138664 0.74 HTR3A (1.00) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL12510593 0.73 HTR3E (0.54) HTR3EHTR3BHTR3AHTR3DHTR3C
Hydrochloric Acid SCHEMBL29688470 0.73 HTR3A (0.96) HTR3EHTR3BHTR3AHTR3DHTR3C
Hydrochloric Acid SCHEMBL15708159 0.73 HTR3A (0.96) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL20009340 0.72 HTR2C (0.55) HTR3EHTR3BHTR3AHTR3DHTR3C

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-10391175-B2 BET bromodomain inhibitors and therapeutic methods using the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-08-27 US disclosed
US-20170281773-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-10-05 US disclosed
US-20170281773-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-10-05 US disclosed
US-9675697-B2 BET bromodomain inhibitors and therapeutic methods using the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-06-13 US disclosed
US-20140256706-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-09-11 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 (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-10391175-B2 BET bromodomain inhibitors and therapeutic methods using the same BRD4, BRDT, BRD3 HTR3E 2886/4885HTR3B 3502/4885HTR3A 3978/4885
US-20170281773-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME BRD4, BRDT, BRD3 HTR3E 2886/4885HTR3B 3502/4885HTR3A 3978/4885
US-20140256706-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME BRD4, BRDT, BRD3 HTR3E 2886/4885HTR3B 3502/4885HTR3A 3978/4885

“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.