SCHEMBL4041944

SCHEMBL4041944

C[C@H]1CN(c2ccnc3ccc(N)cc23)CCN1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.49
HTR1A P08908 2/20 0.49
HTR1D P28221 2/20 0.49
HTR1B P28222 2/20 0.49
NCF1 P14598 5/20 0.48
KIT P10721 1/20 0.45
ADRB2 P07550 2/20 0.43
CHRM4 P08173 1/20 0.40
HTR2C P28335 1/20 0.40
HRH4 Q9H3N8 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
PRKCQ Q04759 1/20 0.38
PRKCD Q05655 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 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
SCHEMBL4132251 1.00 HTR6 (0.49) HTR6HTR1AHTR1DHTR1BNCF1
SCHEMBL3946611 0.86 HTR6 (0.51) HTR6HTR1AHTR1DHTR1BNCF1
SCHEMBL3947283 0.86 HTR6 (0.46) HTR6HTR1AHTR1DHTR1BNCF1
SCHEMBL13595594 0.82 NCF1 (0.65) HTR6HTR1AHTR1DHTR1BNCF1
SCHEMBL3948439 0.81 NCF1 (0.70) HTR6HTR1AHTR1DHTR1BNCF1
Hydrochloric Acid SCHEMBL7590361 0.80 NCF1 (0.68) HTR6HTR1AHTR1DHTR1BNCF1
SCHEMBL7532954 0.80 ALDH1A1 (0.61) HTR6HTR1AHTR1DHTR1BNCF1
SCHEMBL7532960 0.80 ALDH1A1 (0.61) HTR6HTR1AHTR1DHTR1BNCF1
SCHEMBL7475609 0.80 ALDH1A1 (0.61) HTR6HTR1AHTR1DHTR1BNCF1
SCHEMBL22445501 0.79 NCF1 (0.71) HTR6HTR1AHTR1DHTR1BNCF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1450806-B1 USE OF SULFONAMIDE DERIVATIVES IN THE TREATMENT OF OBESITY OR FOR THE REDUCTION OF FOOD INTAKE BIOVITRUM AB PUBL (SE) 2009-04-29 EP disclosed
EP-1450806-A1 USE OF SULFONAMIDE DERIVATIVES IN THE TREATMENT OF OBESITY OR FOR THE REDUCTION OF FOOD INTAKE BIOVITRUM AB (SE) 2004-09-01 EP disclosed
US-20030166663-A1 Use BIOVITRUM AB (SE) 2003-09-04 US disclosed
WO-2003039547-A1 USE OF SULFONAMIDE DERIVATIVES IN THE TREATMENT OF OBESITY OR FOR THE REDUCTION OF FOOD INTAKE BIOVITRUM AB (SE) 2003-05-15 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-20030166663-A1 Use SULT2A1, SULT1A1, SLC5A1 HTR6 1402/4885HTR1A 632/4885HTR1D 971/4885

“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.