SCHEMBL21164476

SCHEMBL21164476

CCC(CC)c1ccc(Cl)cc1-c1cccc(C(N)=O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.49
SHMT1 P34896 1/20 0.48
AKR1C3 P42330 1/20 0.45
AKR1C2 P52895 1/20 0.45
BAZ2B Q9UIF8 1/20 0.41
BAZ2A Q9UIF9 1/20 0.41
NR4A2 P43354 1/20 0.40
PDE4B Q07343 1/20 0.39
PTGER1 P34995 3/20 0.39
CYP2C9 P11712 1/20 0.39
PLAU P00749 1/20 0.39
TTK P33981 2/20 0.38
MAPK8 P45983 1/20 0.38
PRKCI P41743 1/20 0.38
RORC P51449 1/20 0.38
BRD4 O60885 1/20 0.38
CSF1R P07333 1/20 0.38
FLT1 P17948 1/20 0.38
FLT3 P36888 1/20 0.38
MAP2K4 P45985 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
SCHEMBL20032491 0.88 PTGER1 (0.50) AKR1C3AKR1C2PTGER1CYP2C9
SCHEMBL18713736 0.85 NR4A2 (0.43) NR4A2PLAU
SCHEMBL18714009 0.85 CECR2 (0.43) BAZ2BBAZ2ABRD4
SCHEMBL18713573 0.85 HPGD (0.50) BRD4
SCHEMBL18713734 0.84 TRPV1 (0.48)
SCHEMBL21164536 0.82 DHFR (0.39) CYP2C9
SCHEMBL18713832 0.81 KMT2A (0.49)
SCHEMBL18713723 0.80 TSHR (0.42) CYP2C9
SCHEMBL18713631 0.80 ALDH1A1 (0.42) BRD4
SCHEMBL18714008 0.79 POLB (0.50) BRD4FLT3FYN

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-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ALTAVANT SCIENCES GMBH 2023-09-19 US disclosed
US-20210205305-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2021-07-08 US disclosed
US-10946018-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ROIVANT SCIENCES GMBH (CH) 2021-03-16 US disclosed
US-20200237760-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ROIVANT SCIENCES GMBH (CH) 2020-07-30 US disclosed
US-10660893-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ROIVANT SCIENCES, GmbH (CH) 2020-05-26 US disclosed
US-20190282575-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2019-09-19 US disclosed
US-10350208-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ROIVANT SCIENCES GMBH (CH) 2019-07-16 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 (7 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-10660893-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A PARP1 1403/4885SHMT1 69/4885AKR1C3 157/4885
US-20200237760-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A PARP1 1403/4885SHMT1 69/4885AKR1C3 157/4885
US-20210205305-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A PARP1 1403/4885SHMT1 69/4885AKR1C3 157/4885
US-10350208-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A PARP1 1403/4885SHMT1 69/4885AKR1C3 157/4885
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A PARP1 1403/4885SHMT1 69/4885AKR1C3 157/4885
US-20190282575-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A PARP1 1403/4885SHMT1 69/4885AKR1C3 157/4885
US-10946018-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A PARP1 1403/4885SHMT1 69/4885AKR1C3 157/4885

“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.